USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 819 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 113 SER OG : rot 11:sc= 0.0547 USER MOD Set 1.2: A 117 ASN : amide:sc= -0.624 X(o=-0.57,f=-0.65!) USER MOD Set 2.1: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 70 SER OG : rot 180:sc= -0.726 USER MOD Single : A 1 VAL N :NH3+ -111:sc= -1.79 (180deg=-2.49!) USER MOD Single : A 2 SER OG : rot -110:sc= -0.429 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -44:sc= 0.00893 USER MOD Single : A 9 TYR OH : rot 150:sc= -2.47 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -124:sc= -1.91 (180deg=-5.61!) USER MOD Single : A 17 SER OG : rot -85:sc= 0.968 USER MOD Single : A 21 SER OG : rot 94:sc= -0.119 USER MOD Single : A 22 ASN : amide:sc= 0.00481 X(o=0.0048,f=0.014) USER MOD Single : A 25 HIS : no HD1:sc= -3.72 K(o=-3.7,f=-2) USER MOD Single : A 28 MET CE :methyl -158:sc= -0.136 (180deg=-0.725) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 42 ASN : amide:sc= -0.982 K(o=-0.98,f=-5.3!) USER MOD Single : A 54 SER OG : rot -93:sc= -2.47 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 101:sc= 1.27 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.4!) USER MOD Single : A 69 ASN : amide:sc= -0.22 K(o=-0.22,f=-2.4!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.28 K(o=-2.3,f=-15!) USER MOD Single : A 86 ASN : amide:sc= -4.34 K(o=-4.3,f=-11!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 84:sc= -0.775 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.63) USER MOD Single : A 106 ASN : amide:sc= -0.0316 K(o=-0.032,f=-2.2!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.565 K(o=-0.57,f=-1.6!) USER MOD Single : A 114 ASN : amide:sc= -0.395 K(o=-0.39,f=-1.6!) USER MOD Single : A 120 ASN : amide:sc= -0.017 X(o=-0.017,f=0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 90.769 -3.200 13.835 1.00 0.00 N ATOM 2 CA VAL A 1 90.557 -3.590 12.408 1.00 0.00 C ATOM 3 C VAL A 1 91.751 -4.368 11.851 1.00 0.00 C ATOM 4 O VAL A 1 92.891 -4.134 12.215 1.00 0.00 O ATOM 5 CB VAL A 1 90.382 -2.271 11.647 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.120 -1.560 12.143 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.599 -1.368 11.872 1.00 0.00 C ATOM 0 H1 VAL A 1 90.119 -3.738 14.442 1.00 0.00 H new ATOM 0 H2 VAL A 1 91.751 -3.407 14.109 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.585 -2.183 13.948 1.00 0.00 H new ATOM 0 HA VAL A 1 89.692 -4.246 12.307 1.00 0.00 H new ATOM 0 HB VAL A 1 90.289 -2.484 10.582 1.00 0.00 H new ATOM 0 HG11 VAL A 1 88.995 -0.622 11.602 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.252 -2.197 11.971 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.213 -1.355 13.209 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.465 -0.434 11.327 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.703 -1.156 12.936 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.497 -1.871 11.513 1.00 0.00 H new ATOM 17 N SER A 2 91.485 -5.299 10.971 1.00 0.00 N ATOM 18 CA SER A 2 92.580 -6.109 10.364 1.00 0.00 C ATOM 19 C SER A 2 92.720 -5.750 8.884 1.00 0.00 C ATOM 20 O SER A 2 91.746 -5.536 8.188 1.00 0.00 O ATOM 21 CB SER A 2 92.149 -7.564 10.543 1.00 0.00 C ATOM 22 OG SER A 2 90.911 -7.773 9.878 1.00 0.00 O ATOM 0 H SER A 2 90.547 -5.533 10.645 1.00 0.00 H new ATOM 0 HA SER A 2 93.549 -5.926 10.829 1.00 0.00 H new ATOM 0 HB2 SER A 2 92.909 -8.233 10.139 1.00 0.00 H new ATOM 0 HB3 SER A 2 92.049 -7.798 11.603 1.00 0.00 H new ATOM 0 HG SER A 2 90.203 -7.910 10.541 1.00 0.00 H new ATOM 28 N ILE A 3 93.934 -5.664 8.414 1.00 0.00 N ATOM 29 CA ILE A 3 94.180 -5.295 6.988 1.00 0.00 C ATOM 30 C ILE A 3 94.895 -6.419 6.240 1.00 0.00 C ATOM 31 O ILE A 3 95.671 -7.158 6.808 1.00 0.00 O ATOM 32 CB ILE A 3 95.087 -4.057 7.052 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.395 -4.393 7.784 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.364 -2.930 7.794 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.408 -3.272 7.553 1.00 0.00 C ATOM 0 H ILE A 3 94.777 -5.835 8.962 1.00 0.00 H new ATOM 0 HA ILE A 3 93.246 -5.110 6.458 1.00 0.00 H new ATOM 0 HB ILE A 3 95.320 -3.738 6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.207 -4.514 8.851 1.00 0.00 H new ATOM 0 HG13 ILE A 3 96.795 -5.340 7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.008 -2.052 7.839 1.00 0.00 H new ATOM 0 HG22 ILE A 3 93.444 -2.678 7.266 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.124 -3.256 8.806 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.337 -3.509 8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 3 97.604 -3.173 6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.007 -2.334 7.937 1.00 0.00 H new ATOM 47 N SER A 4 94.651 -6.526 4.962 1.00 0.00 N ATOM 48 CA SER A 4 95.321 -7.573 4.140 1.00 0.00 C ATOM 49 C SER A 4 95.557 -7.010 2.738 1.00 0.00 C ATOM 50 O SER A 4 95.369 -5.830 2.503 1.00 0.00 O ATOM 51 CB SER A 4 94.344 -8.749 4.099 1.00 0.00 C ATOM 52 OG SER A 4 95.039 -9.946 4.421 1.00 0.00 O ATOM 0 H SER A 4 94.008 -5.925 4.447 1.00 0.00 H new ATOM 0 HA SER A 4 96.284 -7.884 4.544 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.530 -8.586 4.805 1.00 0.00 H new ATOM 0 HB3 SER A 4 93.895 -8.830 3.109 1.00 0.00 H new ATOM 0 HG SER A 4 94.416 -10.702 4.398 1.00 0.00 H new ATOM 58 N TYR A 5 95.944 -7.837 1.804 1.00 0.00 N ATOM 59 CA TYR A 5 96.164 -7.335 0.417 1.00 0.00 C ATOM 60 C TYR A 5 95.678 -8.370 -0.603 1.00 0.00 C ATOM 61 O TYR A 5 95.748 -9.562 -0.360 1.00 0.00 O ATOM 62 CB TYR A 5 97.678 -7.112 0.306 1.00 0.00 C ATOM 63 CG TYR A 5 98.424 -8.406 0.543 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.770 -8.787 1.845 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.781 -9.217 -0.542 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.471 -9.979 2.062 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.480 -10.410 -0.325 1.00 0.00 C ATOM 68 CZ TYR A 5 99.826 -10.791 0.978 1.00 0.00 C ATOM 69 OH TYR A 5 100.517 -11.967 1.191 1.00 0.00 O ATOM 0 H TYR A 5 96.116 -8.833 1.940 1.00 0.00 H new ATOM 0 HA TYR A 5 95.611 -6.418 0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.922 -6.720 -0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 5 97.995 -6.364 1.033 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.496 -8.161 2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.517 -8.921 -1.547 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.738 -10.273 3.066 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.752 -11.036 -1.161 1.00 0.00 H new ATOM 0 HH TYR A 5 101.238 -11.810 1.836 1.00 0.00 H new ATOM 79 N ASP A 6 95.195 -7.931 -1.743 1.00 0.00 N ATOM 80 CA ASP A 6 94.721 -8.902 -2.773 1.00 0.00 C ATOM 81 C ASP A 6 95.453 -8.648 -4.105 1.00 0.00 C ATOM 82 O ASP A 6 95.732 -7.514 -4.436 1.00 0.00 O ATOM 83 CB ASP A 6 93.222 -8.641 -2.912 1.00 0.00 C ATOM 84 CG ASP A 6 92.481 -9.972 -3.051 1.00 0.00 C ATOM 85 OD1 ASP A 6 92.343 -10.437 -4.170 1.00 0.00 O ATOM 86 OD2 ASP A 6 92.065 -10.503 -2.035 1.00 0.00 O1- ATOM 0 H ASP A 6 95.110 -6.948 -2.000 1.00 0.00 H new ATOM 0 HA ASP A 6 94.919 -9.937 -2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.855 -8.098 -2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 6 93.031 -8.014 -3.783 1.00 0.00 H new ATOM 91 N PRO A 7 95.757 -9.708 -4.826 1.00 0.00 N ATOM 92 CA PRO A 7 96.484 -9.559 -6.113 1.00 0.00 C ATOM 93 C PRO A 7 95.564 -9.091 -7.253 1.00 0.00 C ATOM 94 O PRO A 7 96.037 -8.766 -8.327 1.00 0.00 O ATOM 95 CB PRO A 7 96.999 -10.967 -6.395 1.00 0.00 C ATOM 96 CG PRO A 7 96.068 -11.888 -5.670 1.00 0.00 C ATOM 97 CD PRO A 7 95.468 -11.121 -4.519 1.00 0.00 C ATOM 0 HA PRO A 7 97.270 -8.806 -6.050 1.00 0.00 H new ATOM 0 HB2 PRO A 7 97.003 -11.176 -7.465 1.00 0.00 H new ATOM 0 HB3 PRO A 7 98.023 -11.088 -6.043 1.00 0.00 H new ATOM 0 HG2 PRO A 7 95.286 -12.246 -6.340 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.604 -12.765 -5.307 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.395 -11.299 -4.440 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.911 -11.419 -3.569 1.00 0.00 H new ATOM 105 N ILE A 8 94.267 -9.067 -7.051 1.00 0.00 N ATOM 106 CA ILE A 8 93.353 -8.632 -8.159 1.00 0.00 C ATOM 107 C ILE A 8 93.487 -7.130 -8.439 1.00 0.00 C ATOM 108 O ILE A 8 93.451 -6.713 -9.581 1.00 0.00 O ATOM 109 CB ILE A 8 91.929 -9.001 -7.709 1.00 0.00 C ATOM 110 CG1 ILE A 8 91.536 -8.207 -6.457 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.860 -10.500 -7.402 1.00 0.00 C ATOM 112 CD1 ILE A 8 90.067 -8.472 -6.132 1.00 0.00 C ATOM 0 H ILE A 8 93.805 -9.326 -6.179 1.00 0.00 H new ATOM 0 HA ILE A 8 93.606 -9.128 -9.096 1.00 0.00 H new ATOM 0 HB ILE A 8 91.236 -8.755 -8.513 1.00 0.00 H new ATOM 0 HG12 ILE A 8 92.165 -8.498 -5.616 1.00 0.00 H new ATOM 0 HG13 ILE A 8 91.697 -7.142 -6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.851 -10.760 -7.083 1.00 0.00 H new ATOM 0 HG22 ILE A 8 92.115 -11.067 -8.297 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.565 -10.741 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.784 -7.909 -5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.446 -8.160 -6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.921 -9.537 -5.949 1.00 0.00 H new ATOM 124 N TYR A 9 93.617 -6.315 -7.422 1.00 0.00 N ATOM 125 CA TYR A 9 93.725 -4.841 -7.661 1.00 0.00 C ATOM 126 C TYR A 9 95.079 -4.463 -8.263 1.00 0.00 C ATOM 127 O TYR A 9 95.881 -3.759 -7.685 1.00 0.00 O ATOM 128 CB TYR A 9 93.470 -4.153 -6.325 1.00 0.00 C ATOM 129 CG TYR A 9 92.012 -4.296 -5.982 1.00 0.00 C ATOM 130 CD1 TYR A 9 91.047 -3.713 -6.809 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.623 -5.018 -4.850 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.691 -3.850 -6.505 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.266 -5.157 -4.546 1.00 0.00 C ATOM 134 CZ TYR A 9 89.301 -4.572 -5.374 1.00 0.00 C ATOM 135 OH TYR A 9 87.964 -4.712 -5.078 1.00 0.00 O ATOM 0 H TYR A 9 93.653 -6.602 -6.444 1.00 0.00 H new ATOM 0 HA TYR A 9 92.988 -4.515 -8.394 1.00 0.00 H new ATOM 0 HB2 TYR A 9 94.088 -4.599 -5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.743 -3.099 -6.384 1.00 0.00 H new ATOM 0 HD1 TYR A 9 91.351 -3.156 -7.683 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.369 -5.467 -4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.945 -3.399 -7.143 1.00 0.00 H new ATOM 0 HE2 TYR A 9 89.962 -5.715 -3.673 1.00 0.00 H new ATOM 0 HH TYR A 9 87.819 -5.562 -4.613 1.00 0.00 H new ATOM 145 N ALA A 10 95.272 -4.900 -9.479 1.00 0.00 N ATOM 146 CA ALA A 10 96.494 -4.573 -10.263 1.00 0.00 C ATOM 147 C ALA A 10 96.120 -3.519 -11.306 1.00 0.00 C ATOM 148 O ALA A 10 94.967 -3.163 -11.465 1.00 0.00 O ATOM 149 CB ALA A 10 96.947 -5.877 -10.919 1.00 0.00 C ATOM 0 H ALA A 10 94.606 -5.492 -9.976 1.00 0.00 H new ATOM 0 HA ALA A 10 97.301 -4.171 -9.650 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.845 -5.694 -11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 10 97.164 -6.616 -10.148 1.00 0.00 H new ATOM 0 HB3 ALA A 10 96.156 -6.252 -11.568 1.00 0.00 H new ATOM 155 N ALA A 11 97.107 -2.962 -11.955 1.00 0.00 N ATOM 156 CA ALA A 11 96.857 -1.856 -12.929 1.00 0.00 C ATOM 157 C ALA A 11 95.890 -2.239 -14.052 1.00 0.00 C ATOM 158 O ALA A 11 95.163 -1.387 -14.532 1.00 0.00 O ATOM 159 CB ALA A 11 98.231 -1.508 -13.506 1.00 0.00 C ATOM 0 H ALA A 11 98.086 -3.228 -11.852 1.00 0.00 H new ATOM 0 HA ALA A 11 96.380 -1.016 -12.424 1.00 0.00 H new ATOM 0 HB1 ALA A 11 98.127 -0.701 -14.231 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.894 -1.190 -12.701 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.652 -2.385 -13.997 1.00 0.00 H new ATOM 165 N ASP A 12 95.884 -3.466 -14.522 1.00 0.00 N ATOM 166 CA ASP A 12 94.966 -3.789 -15.659 1.00 0.00 C ATOM 167 C ASP A 12 93.595 -4.285 -15.177 1.00 0.00 C ATOM 168 O ASP A 12 92.806 -4.788 -15.955 1.00 0.00 O ATOM 169 CB ASP A 12 95.689 -4.853 -16.478 1.00 0.00 C ATOM 170 CG ASP A 12 96.953 -4.249 -17.093 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.857 -3.172 -17.660 1.00 0.00 O1- ATOM 172 OD2 ASP A 12 97.996 -4.873 -16.988 1.00 0.00 O ATOM 0 H ASP A 12 96.458 -4.236 -14.179 1.00 0.00 H new ATOM 0 HA ASP A 12 94.751 -2.900 -16.252 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.949 -5.701 -15.844 1.00 0.00 H new ATOM 0 HB3 ASP A 12 95.034 -5.231 -17.263 1.00 0.00 H new ATOM 177 N LEU A 13 93.301 -4.141 -13.911 1.00 0.00 N ATOM 178 CA LEU A 13 91.979 -4.595 -13.379 1.00 0.00 C ATOM 179 C LEU A 13 90.871 -3.655 -13.848 1.00 0.00 C ATOM 180 O LEU A 13 90.916 -2.462 -13.615 1.00 0.00 O ATOM 181 CB LEU A 13 92.111 -4.514 -11.857 1.00 0.00 C ATOM 182 CG LEU A 13 90.860 -5.114 -11.212 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.808 -6.614 -11.500 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.907 -4.887 -9.703 1.00 0.00 C ATOM 0 H LEU A 13 93.923 -3.726 -13.217 1.00 0.00 H new ATOM 0 HA LEU A 13 91.727 -5.598 -13.722 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.999 -5.053 -11.528 1.00 0.00 H new ATOM 0 HB3 LEU A 13 92.234 -3.477 -11.545 1.00 0.00 H new ATOM 0 HG LEU A 13 89.973 -4.634 -11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.917 -7.042 -11.041 1.00 0.00 H new ATOM 0 HD12 LEU A 13 90.775 -6.777 -12.577 1.00 0.00 H new ATOM 0 HD13 LEU A 13 91.695 -7.095 -11.088 1.00 0.00 H new ATOM 0 HD21 LEU A 13 90.016 -5.314 -9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.794 -5.367 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.944 -3.817 -9.497 1.00 0.00 H new ATOM 196 N SER A 14 89.875 -4.192 -14.501 1.00 0.00 N ATOM 197 CA SER A 14 88.753 -3.338 -14.984 1.00 0.00 C ATOM 198 C SER A 14 87.915 -2.854 -13.799 1.00 0.00 C ATOM 199 O SER A 14 87.627 -3.601 -12.883 1.00 0.00 O ATOM 200 CB SER A 14 87.925 -4.225 -15.911 1.00 0.00 C ATOM 201 OG SER A 14 86.826 -3.479 -16.418 1.00 0.00 O ATOM 0 H SER A 14 89.791 -5.185 -14.720 1.00 0.00 H new ATOM 0 HA SER A 14 89.111 -2.450 -15.505 1.00 0.00 H new ATOM 0 HB2 SER A 14 88.542 -4.588 -16.732 1.00 0.00 H new ATOM 0 HB3 SER A 14 87.566 -5.101 -15.370 1.00 0.00 H new ATOM 0 HG SER A 14 86.294 -4.045 -17.015 1.00 0.00 H new ATOM 207 N MET A 15 87.535 -1.607 -13.814 1.00 0.00 N ATOM 208 CA MET A 15 86.722 -1.044 -12.691 1.00 0.00 C ATOM 209 C MET A 15 85.297 -1.609 -12.677 1.00 0.00 C ATOM 210 O MET A 15 84.591 -1.471 -11.697 1.00 0.00 O ATOM 211 CB MET A 15 86.687 0.466 -12.918 1.00 0.00 C ATOM 212 CG MET A 15 88.046 1.066 -12.561 1.00 0.00 C ATOM 213 SD MET A 15 87.911 2.868 -12.548 1.00 0.00 S ATOM 214 CE MET A 15 89.392 3.207 -11.566 1.00 0.00 C ATOM 0 H MET A 15 87.753 -0.946 -14.560 1.00 0.00 H new ATOM 0 HA MET A 15 87.164 -1.307 -11.730 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.444 0.683 -13.958 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.906 0.918 -12.307 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.371 0.706 -11.585 1.00 0.00 H new ATOM 0 HG3 MET A 15 88.798 0.750 -13.284 1.00 0.00 H new ATOM 0 HE1 MET A 15 89.121 3.799 -10.692 1.00 0.00 H new ATOM 0 HE2 MET A 15 89.838 2.266 -11.243 1.00 0.00 H new ATOM 0 HE3 MET A 15 90.111 3.760 -12.171 1.00 0.00 H new ATOM 224 N GLY A 16 84.852 -2.227 -13.742 1.00 0.00 N ATOM 225 CA GLY A 16 83.462 -2.775 -13.770 1.00 0.00 C ATOM 226 C GLY A 16 83.323 -3.959 -12.810 1.00 0.00 C ATOM 227 O GLY A 16 82.223 -4.378 -12.501 1.00 0.00 O ATOM 0 H GLY A 16 85.392 -2.376 -14.594 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.753 -1.994 -13.496 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.212 -3.091 -14.783 1.00 0.00 H new ATOM 231 N SER A 17 84.415 -4.522 -12.357 1.00 0.00 N ATOM 232 CA SER A 17 84.327 -5.697 -11.443 1.00 0.00 C ATOM 233 C SER A 17 84.228 -5.278 -9.969 1.00 0.00 C ATOM 234 O SER A 17 84.083 -6.121 -9.102 1.00 0.00 O ATOM 235 CB SER A 17 85.621 -6.476 -11.686 1.00 0.00 C ATOM 236 OG SER A 17 86.727 -5.690 -11.263 1.00 0.00 O ATOM 0 H SER A 17 85.362 -4.218 -12.582 1.00 0.00 H new ATOM 0 HA SER A 17 83.431 -6.285 -11.644 1.00 0.00 H new ATOM 0 HB2 SER A 17 85.600 -7.419 -11.140 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.718 -6.722 -12.743 1.00 0.00 H new ATOM 0 HG SER A 17 86.999 -5.091 -11.989 1.00 0.00 H new ATOM 242 N VAL A 18 84.319 -4.004 -9.665 1.00 0.00 N ATOM 243 CA VAL A 18 84.243 -3.578 -8.234 1.00 0.00 C ATOM 244 C VAL A 18 82.865 -2.977 -7.916 1.00 0.00 C ATOM 245 O VAL A 18 82.071 -2.717 -8.798 1.00 0.00 O ATOM 246 CB VAL A 18 85.360 -2.537 -8.074 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.112 -1.347 -9.011 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.402 -2.050 -6.627 1.00 0.00 C ATOM 0 H VAL A 18 84.441 -3.249 -10.340 1.00 0.00 H new ATOM 0 HA VAL A 18 84.369 -4.414 -7.546 1.00 0.00 H new ATOM 0 HB VAL A 18 86.314 -2.998 -8.332 1.00 0.00 H new ATOM 0 HG11 VAL A 18 85.910 -0.615 -8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.094 -1.695 -10.044 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.156 -0.885 -8.767 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.195 -1.311 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.445 -1.597 -6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.596 -2.894 -5.965 1.00 0.00 H new ATOM 258 N ALA A 19 82.578 -2.769 -6.653 1.00 0.00 N ATOM 259 CA ALA A 19 81.252 -2.200 -6.255 1.00 0.00 C ATOM 260 C ALA A 19 81.047 -0.817 -6.883 1.00 0.00 C ATOM 261 O ALA A 19 79.961 -0.479 -7.301 1.00 0.00 O ATOM 262 CB ALA A 19 81.294 -2.092 -4.723 1.00 0.00 C ATOM 0 H ALA A 19 83.209 -2.970 -5.877 1.00 0.00 H new ATOM 0 HA ALA A 19 80.428 -2.827 -6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.351 -1.681 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.447 -3.082 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.113 -1.437 -4.427 1.00 0.00 H new ATOM 268 N CYS A 20 82.076 -0.014 -6.940 1.00 0.00 N ATOM 269 CA CYS A 20 81.937 1.352 -7.536 1.00 0.00 C ATOM 270 C CYS A 20 81.927 1.260 -9.071 1.00 0.00 C ATOM 271 O CYS A 20 82.845 1.706 -9.736 1.00 0.00 O ATOM 272 CB CYS A 20 83.178 2.117 -7.046 1.00 0.00 C ATOM 273 SG CYS A 20 82.702 3.766 -6.466 1.00 0.00 S ATOM 0 H CYS A 20 83.010 -0.243 -6.599 1.00 0.00 H new ATOM 0 HA CYS A 20 81.010 1.845 -7.244 1.00 0.00 H new ATOM 0 HB2 CYS A 20 83.661 1.565 -6.240 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.905 2.203 -7.854 1.00 0.00 H new ATOM 278 N SER A 21 80.894 0.682 -9.640 1.00 0.00 N ATOM 279 CA SER A 21 80.819 0.556 -11.126 1.00 0.00 C ATOM 280 C SER A 21 79.754 1.497 -11.692 1.00 0.00 C ATOM 281 O SER A 21 78.569 1.304 -11.503 1.00 0.00 O ATOM 282 CB SER A 21 80.447 -0.902 -11.390 1.00 0.00 C ATOM 283 OG SER A 21 81.635 -1.671 -11.525 1.00 0.00 O ATOM 0 H SER A 21 80.099 0.292 -9.134 1.00 0.00 H new ATOM 0 HA SER A 21 81.760 0.826 -11.605 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.840 -1.289 -10.571 1.00 0.00 H new ATOM 0 HB3 SER A 21 79.846 -0.978 -12.296 1.00 0.00 H new ATOM 0 HG SER A 21 81.869 -2.066 -10.659 1.00 0.00 H new ATOM 289 N ASN A 22 80.180 2.515 -12.383 1.00 0.00 N ATOM 290 CA ASN A 22 79.237 3.503 -12.984 1.00 0.00 C ATOM 291 C ASN A 22 78.245 4.034 -11.932 1.00 0.00 C ATOM 292 O ASN A 22 78.620 4.282 -10.802 1.00 0.00 O ATOM 293 CB ASN A 22 78.561 2.768 -14.145 1.00 0.00 C ATOM 294 CG ASN A 22 79.619 2.350 -15.168 1.00 0.00 C ATOM 295 OD1 ASN A 22 79.882 1.176 -15.343 1.00 0.00 O ATOM 296 ND2 ASN A 22 80.240 3.267 -15.856 1.00 0.00 N ATOM 0 H ASN A 22 81.165 2.710 -12.562 1.00 0.00 H new ATOM 0 HA ASN A 22 79.744 4.395 -13.351 1.00 0.00 H new ATOM 0 HB2 ASN A 22 78.031 1.891 -13.775 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.819 3.413 -14.616 1.00 0.00 H new ATOM 0 HD21 ASN A 22 80.947 2.999 -16.541 1.00 0.00 H new ATOM 0 HD22 ASN A 22 80.019 4.252 -15.709 1.00 0.00 H new ATOM 303 N GLY A 23 77.001 4.230 -12.282 1.00 0.00 N ATOM 304 CA GLY A 23 76.030 4.773 -11.289 1.00 0.00 C ATOM 305 C GLY A 23 76.464 6.198 -10.939 1.00 0.00 C ATOM 306 O GLY A 23 77.149 6.848 -11.707 1.00 0.00 O ATOM 0 H GLY A 23 76.617 4.039 -13.208 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.021 4.772 -11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.010 4.150 -10.395 1.00 0.00 H new ATOM 310 N ASP A 24 76.084 6.683 -9.790 1.00 0.00 N ATOM 311 CA ASP A 24 76.486 8.066 -9.385 1.00 0.00 C ATOM 312 C ASP A 24 77.941 8.096 -8.891 1.00 0.00 C ATOM 313 O ASP A 24 78.680 9.017 -9.188 1.00 0.00 O ATOM 314 CB ASP A 24 75.526 8.444 -8.256 1.00 0.00 C ATOM 315 CG ASP A 24 74.116 8.650 -8.821 1.00 0.00 C ATOM 316 OD1 ASP A 24 74.003 8.983 -9.990 1.00 0.00 O1- ATOM 317 OD2 ASP A 24 73.170 8.477 -8.069 1.00 0.00 O ATOM 0 H ASP A 24 75.511 6.183 -9.110 1.00 0.00 H new ATOM 0 HA ASP A 24 76.433 8.763 -10.221 1.00 0.00 H new ATOM 0 HB2 ASP A 24 75.513 7.660 -7.499 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.868 9.355 -7.765 1.00 0.00 H new ATOM 322 N HIS A 25 78.350 7.120 -8.117 1.00 0.00 N ATOM 323 CA HIS A 25 79.753 7.115 -7.576 1.00 0.00 C ATOM 324 C HIS A 25 80.724 6.389 -8.519 1.00 0.00 C ATOM 325 O HIS A 25 81.891 6.238 -8.206 1.00 0.00 O ATOM 326 CB HIS A 25 79.683 6.346 -6.252 1.00 0.00 C ATOM 327 CG HIS A 25 78.615 6.915 -5.358 1.00 0.00 C ATOM 328 ND1 HIS A 25 78.743 8.141 -4.727 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.394 6.422 -4.983 1.00 0.00 C ATOM 330 CE1 HIS A 25 77.620 8.344 -4.010 1.00 0.00 C ATOM 331 NE2 HIS A 25 76.765 7.325 -4.131 1.00 0.00 N ATOM 0 H HIS A 25 77.776 6.325 -7.835 1.00 0.00 H new ATOM 0 HA HIS A 25 80.117 8.136 -7.460 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.477 5.294 -6.448 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.648 6.393 -5.748 1.00 0.00 H new ATOM 0 HD2 HIS A 25 76.981 5.476 -5.300 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.434 9.223 -3.411 1.00 0.00 H new ATOM 0 HE2 HIS A 25 75.849 7.229 -3.693 1.00 0.00 H new ATOM 339 N GLY A 26 80.262 5.917 -9.652 1.00 0.00 N ATOM 340 CA GLY A 26 81.169 5.179 -10.588 1.00 0.00 C ATOM 341 C GLY A 26 82.387 6.021 -10.952 1.00 0.00 C ATOM 342 O GLY A 26 82.280 7.172 -11.332 1.00 0.00 O ATOM 0 H GLY A 26 79.297 6.011 -9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.493 4.247 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.623 4.913 -11.493 1.00 0.00 H new ATOM 346 N LEU A 27 83.542 5.428 -10.859 1.00 0.00 N ATOM 347 CA LEU A 27 84.800 6.142 -11.219 1.00 0.00 C ATOM 348 C LEU A 27 85.201 5.805 -12.666 1.00 0.00 C ATOM 349 O LEU A 27 86.073 6.430 -13.237 1.00 0.00 O ATOM 350 CB LEU A 27 85.841 5.612 -10.232 1.00 0.00 C ATOM 351 CG LEU A 27 85.467 6.046 -8.814 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.323 5.282 -7.803 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.723 7.547 -8.659 1.00 0.00 C ATOM 0 H LEU A 27 83.671 4.466 -10.545 1.00 0.00 H new ATOM 0 HA LEU A 27 84.699 7.226 -11.164 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.892 4.525 -10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.830 5.991 -10.491 1.00 0.00 H new ATOM 0 HG LEU A 27 84.413 5.832 -8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 27 86.056 5.592 -6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.148 4.212 -7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.376 5.497 -7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.457 7.859 -7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.778 7.757 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 27 85.117 8.096 -9.380 1.00 0.00 H new ATOM 365 N MET A 28 84.568 4.816 -13.261 1.00 0.00 N ATOM 366 CA MET A 28 84.903 4.427 -14.664 1.00 0.00 C ATOM 367 C MET A 28 84.672 5.598 -15.624 1.00 0.00 C ATOM 368 O MET A 28 85.370 5.745 -16.608 1.00 0.00 O ATOM 369 CB MET A 28 83.958 3.269 -15.004 1.00 0.00 C ATOM 370 CG MET A 28 84.289 2.739 -16.401 1.00 0.00 C ATOM 371 SD MET A 28 83.169 1.379 -16.816 1.00 0.00 S ATOM 372 CE MET A 28 83.882 0.141 -15.705 1.00 0.00 C ATOM 0 H MET A 28 83.830 4.261 -12.828 1.00 0.00 H new ATOM 0 HA MET A 28 85.951 4.142 -14.760 1.00 0.00 H new ATOM 0 HB2 MET A 28 84.060 2.473 -14.267 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.922 3.607 -14.967 1.00 0.00 H new ATOM 0 HG2 MET A 28 84.195 3.538 -17.136 1.00 0.00 H new ATOM 0 HG3 MET A 28 85.323 2.395 -16.435 1.00 0.00 H new ATOM 0 HE1 MET A 28 83.622 -0.857 -16.058 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.967 0.249 -15.688 1.00 0.00 H new ATOM 0 HE3 MET A 28 83.488 0.285 -14.699 1.00 0.00 H new ATOM 382 N ALA A 29 83.676 6.409 -15.362 1.00 0.00 N ATOM 383 CA ALA A 29 83.365 7.557 -16.279 1.00 0.00 C ATOM 384 C ALA A 29 84.622 8.376 -16.610 1.00 0.00 C ATOM 385 O ALA A 29 85.154 8.283 -17.701 1.00 0.00 O ATOM 386 CB ALA A 29 82.355 8.412 -15.513 1.00 0.00 C ATOM 0 H ALA A 29 83.062 6.327 -14.552 1.00 0.00 H new ATOM 0 HA ALA A 29 82.976 7.207 -17.235 1.00 0.00 H new ATOM 0 HB1 ALA A 29 82.076 9.275 -16.118 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.467 7.819 -15.296 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.801 8.753 -14.579 1.00 0.00 H new ATOM 392 N GLN A 30 85.103 9.167 -15.682 1.00 0.00 N ATOM 393 CA GLN A 30 86.331 9.981 -15.955 1.00 0.00 C ATOM 394 C GLN A 30 87.551 9.069 -16.042 1.00 0.00 C ATOM 395 O GLN A 30 88.430 9.257 -16.861 1.00 0.00 O ATOM 396 CB GLN A 30 86.466 10.916 -14.758 1.00 0.00 C ATOM 397 CG GLN A 30 85.352 11.951 -14.805 1.00 0.00 C ATOM 398 CD GLN A 30 85.479 12.894 -13.608 1.00 0.00 C ATOM 399 OE1 GLN A 30 86.570 13.281 -13.238 1.00 0.00 O ATOM 400 NE2 GLN A 30 84.404 13.274 -12.975 1.00 0.00 N ATOM 0 H GLN A 30 84.702 9.285 -14.752 1.00 0.00 H new ATOM 0 HA GLN A 30 86.260 10.527 -16.896 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.412 10.348 -13.829 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.438 11.409 -14.774 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.407 12.517 -15.735 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.381 11.456 -14.790 1.00 0.00 H new ATOM 0 HE21 GLN A 30 83.488 12.950 -13.285 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.479 13.896 -12.170 1.00 0.00 H new ATOM 409 N TYR A 31 87.605 8.090 -15.182 1.00 0.00 N ATOM 410 CA TYR A 31 88.764 7.152 -15.169 1.00 0.00 C ATOM 411 C TYR A 31 88.255 5.723 -15.410 1.00 0.00 C ATOM 412 O TYR A 31 87.917 5.037 -14.471 1.00 0.00 O ATOM 413 CB TYR A 31 89.372 7.286 -13.765 1.00 0.00 C ATOM 414 CG TYR A 31 89.689 8.741 -13.474 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.852 9.324 -13.988 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.811 9.504 -12.693 1.00 0.00 C ATOM 417 CE1 TYR A 31 91.137 10.670 -13.721 1.00 0.00 C ATOM 418 CE2 TYR A 31 89.097 10.848 -12.426 1.00 0.00 C ATOM 419 CZ TYR A 31 90.260 11.431 -12.940 1.00 0.00 C ATOM 420 OH TYR A 31 90.541 12.756 -12.678 1.00 0.00 O ATOM 0 H TYR A 31 86.889 7.898 -14.481 1.00 0.00 H new ATOM 0 HA TYR A 31 89.500 7.373 -15.942 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.676 6.901 -13.020 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.279 6.686 -13.694 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.530 8.737 -14.590 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.912 9.055 -12.297 1.00 0.00 H new ATOM 0 HE1 TYR A 31 92.035 11.120 -14.118 1.00 0.00 H new ATOM 0 HE2 TYR A 31 88.420 11.435 -11.823 1.00 0.00 H new ATOM 0 HH TYR A 31 89.829 13.138 -12.123 1.00 0.00 H new ATOM 430 N PRO A 32 88.185 5.320 -16.664 1.00 0.00 N ATOM 431 CA PRO A 32 87.671 3.962 -16.991 1.00 0.00 C ATOM 432 C PRO A 32 88.651 2.851 -16.575 1.00 0.00 C ATOM 433 O PRO A 32 88.337 1.680 -16.689 1.00 0.00 O ATOM 434 CB PRO A 32 87.491 4.000 -18.506 1.00 0.00 C ATOM 435 CG PRO A 32 88.430 5.059 -18.985 1.00 0.00 C ATOM 436 CD PRO A 32 88.569 6.066 -17.874 1.00 0.00 C ATOM 0 HA PRO A 32 86.750 3.733 -16.455 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.724 3.034 -18.955 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.461 4.236 -18.775 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.399 4.628 -19.238 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.047 5.533 -19.888 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.589 6.443 -17.803 1.00 0.00 H new ATOM 0 HD3 PRO A 32 87.921 6.928 -18.034 1.00 0.00 H new ATOM 444 N THR A 33 89.823 3.193 -16.095 1.00 0.00 N ATOM 445 CA THR A 33 90.795 2.135 -15.679 1.00 0.00 C ATOM 446 C THR A 33 91.424 2.489 -14.327 1.00 0.00 C ATOM 447 O THR A 33 91.584 3.645 -13.988 1.00 0.00 O ATOM 448 CB THR A 33 91.853 2.114 -16.780 1.00 0.00 C ATOM 449 OG1 THR A 33 91.214 2.202 -18.047 1.00 0.00 O ATOM 450 CG2 THR A 33 92.648 0.811 -16.699 1.00 0.00 C ATOM 0 H THR A 33 90.146 4.153 -15.974 1.00 0.00 H new ATOM 0 HA THR A 33 90.318 1.163 -15.556 1.00 0.00 H new ATOM 0 HB THR A 33 92.530 2.959 -16.653 1.00 0.00 H new ATOM 0 HG1 THR A 33 91.890 2.190 -18.756 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.403 0.796 -17.485 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.135 0.742 -15.726 1.00 0.00 H new ATOM 0 HG23 THR A 33 91.973 -0.035 -16.828 1.00 0.00 H new ATOM 458 N LEU A 34 91.769 1.489 -13.553 1.00 0.00 N ATOM 459 CA LEU A 34 92.378 1.743 -12.209 1.00 0.00 C ATOM 460 C LEU A 34 93.814 2.254 -12.358 1.00 0.00 C ATOM 461 O LEU A 34 94.673 1.561 -12.870 1.00 0.00 O ATOM 462 CB LEU A 34 92.381 0.376 -11.516 1.00 0.00 C ATOM 463 CG LEU A 34 92.970 0.504 -10.104 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.970 1.221 -9.187 1.00 0.00 C ATOM 465 CD2 LEU A 34 93.272 -0.894 -9.550 1.00 0.00 C ATOM 0 H LEU A 34 91.655 0.505 -13.795 1.00 0.00 H new ATOM 0 HA LEU A 34 91.826 2.497 -11.647 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.365 -0.015 -11.461 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.965 -0.335 -12.100 1.00 0.00 H new ATOM 0 HG LEU A 34 93.892 1.084 -10.147 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.393 1.309 -8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.762 2.215 -9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 34 91.044 0.648 -9.140 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.690 -0.805 -8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.351 -1.476 -9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.989 -1.396 -10.199 1.00 0.00 H new ATOM 477 N GLY A 35 94.079 3.451 -11.909 1.00 0.00 N ATOM 478 CA GLY A 35 95.465 3.999 -12.016 1.00 0.00 C ATOM 479 C GLY A 35 95.442 5.528 -12.131 1.00 0.00 C ATOM 480 O GLY A 35 96.301 6.113 -12.766 1.00 0.00 O ATOM 0 H GLY A 35 93.398 4.073 -11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 35 96.045 3.705 -11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.963 3.572 -12.887 1.00 0.00 H new ATOM 484 N GLU A 36 94.487 6.184 -11.515 1.00 0.00 N ATOM 485 CA GLU A 36 94.439 7.669 -11.585 1.00 0.00 C ATOM 486 C GLU A 36 93.616 8.227 -10.421 1.00 0.00 C ATOM 487 O GLU A 36 94.038 9.151 -9.750 1.00 0.00 O ATOM 488 CB GLU A 36 93.785 7.981 -12.924 1.00 0.00 C ATOM 489 CG GLU A 36 94.182 9.392 -13.363 1.00 0.00 C ATOM 490 CD GLU A 36 93.863 9.603 -14.851 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.552 8.632 -15.526 1.00 0.00 O1- ATOM 492 OE2 GLU A 36 93.947 10.737 -15.294 1.00 0.00 O ATOM 0 H GLU A 36 93.742 5.751 -10.969 1.00 0.00 H new ATOM 0 HA GLU A 36 95.427 8.122 -11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 36 94.097 7.253 -13.673 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.701 7.906 -12.839 1.00 0.00 H new ATOM 0 HG2 GLU A 36 93.649 10.129 -12.763 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.246 9.548 -13.188 1.00 0.00 H new ATOM 499 N VAL A 37 92.458 7.663 -10.154 1.00 0.00 N ATOM 500 CA VAL A 37 91.636 8.161 -9.004 1.00 0.00 C ATOM 501 C VAL A 37 92.456 7.973 -7.702 1.00 0.00 C ATOM 502 O VAL A 37 92.780 8.943 -7.045 1.00 0.00 O ATOM 503 CB VAL A 37 90.333 7.327 -9.053 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.659 7.249 -7.676 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.370 7.987 -10.039 1.00 0.00 C ATOM 0 H VAL A 37 92.051 6.888 -10.677 1.00 0.00 H new ATOM 0 HA VAL A 37 91.384 9.221 -9.048 1.00 0.00 H new ATOM 0 HB VAL A 37 90.584 6.313 -9.365 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.748 6.656 -7.750 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.339 6.782 -6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.411 8.254 -7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.446 7.411 -10.086 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.149 9.002 -9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.827 8.019 -11.028 1.00 0.00 H new ATOM 515 N PRO A 38 92.816 6.742 -7.397 1.00 0.00 N ATOM 516 CA PRO A 38 93.659 6.479 -6.200 1.00 0.00 C ATOM 517 C PRO A 38 95.111 6.861 -6.507 1.00 0.00 C ATOM 518 O PRO A 38 95.885 7.196 -5.632 1.00 0.00 O ATOM 519 CB PRO A 38 93.568 4.967 -6.020 1.00 0.00 C ATOM 520 CG PRO A 38 93.257 4.432 -7.379 1.00 0.00 C ATOM 521 CD PRO A 38 92.481 5.494 -8.105 1.00 0.00 C ATOM 0 HA PRO A 38 93.341 7.039 -5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.504 4.558 -5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.790 4.701 -5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 38 94.174 4.190 -7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.677 3.512 -7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.765 5.545 -9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.410 5.295 -8.074 1.00 0.00 H new ATOM 529 N GLY A 39 95.481 6.772 -7.759 1.00 0.00 N ATOM 530 CA GLY A 39 96.874 7.078 -8.184 1.00 0.00 C ATOM 531 C GLY A 39 97.376 5.876 -8.986 1.00 0.00 C ATOM 532 O GLY A 39 97.638 5.969 -10.168 1.00 0.00 O ATOM 0 H GLY A 39 94.860 6.494 -8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.901 7.984 -8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.511 7.255 -7.317 1.00 0.00 H new ATOM 536 N PHE A 40 97.448 4.734 -8.333 1.00 0.00 N ATOM 537 CA PHE A 40 97.867 3.437 -8.979 1.00 0.00 C ATOM 538 C PHE A 40 98.202 2.389 -7.885 1.00 0.00 C ATOM 539 O PHE A 40 97.597 1.334 -7.861 1.00 0.00 O ATOM 540 CB PHE A 40 99.065 3.713 -9.941 1.00 0.00 C ATOM 541 CG PHE A 40 99.822 2.433 -10.266 1.00 0.00 C ATOM 542 CD1 PHE A 40 99.121 1.250 -10.547 1.00 0.00 C ATOM 543 CD2 PHE A 40 101.222 2.434 -10.287 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.819 0.075 -10.846 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.920 1.257 -10.587 1.00 0.00 C ATOM 546 CZ PHE A 40 101.218 0.078 -10.866 1.00 0.00 C ATOM 0 H PHE A 40 97.225 4.644 -7.342 1.00 0.00 H new ATOM 0 HA PHE A 40 97.054 3.021 -9.575 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.697 4.164 -10.863 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.743 4.432 -9.483 1.00 0.00 H new ATOM 0 HD1 PHE A 40 98.041 1.247 -10.532 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.764 3.343 -10.072 1.00 0.00 H new ATOM 0 HE1 PHE A 40 99.278 -0.835 -11.061 1.00 0.00 H new ATOM 0 HE2 PHE A 40 103.000 1.259 -10.603 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.757 -0.829 -11.097 1.00 0.00 H new ATOM 556 N PRO A 41 99.158 2.686 -7.014 1.00 0.00 N ATOM 557 CA PRO A 41 99.544 1.735 -5.952 1.00 0.00 C ATOM 558 C PRO A 41 98.900 2.118 -4.612 1.00 0.00 C ATOM 559 O PRO A 41 99.344 1.689 -3.563 1.00 0.00 O ATOM 560 CB PRO A 41 101.053 1.946 -5.869 1.00 0.00 C ATOM 561 CG PRO A 41 101.291 3.352 -6.364 1.00 0.00 C ATOM 562 CD PRO A 41 99.980 3.888 -6.898 1.00 0.00 C ATOM 0 HA PRO A 41 99.238 0.710 -6.159 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.411 1.824 -4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.585 1.219 -6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.660 3.983 -5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 41 102.051 3.357 -7.145 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.536 4.617 -6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 41 100.108 4.384 -7.860 1.00 0.00 H new ATOM 570 N ASN A 42 97.872 2.929 -4.635 1.00 0.00 N ATOM 571 CA ASN A 42 97.215 3.352 -3.364 1.00 0.00 C ATOM 572 C ASN A 42 95.715 3.071 -3.447 1.00 0.00 C ATOM 573 O ASN A 42 94.895 3.875 -3.045 1.00 0.00 O ATOM 574 CB ASN A 42 97.485 4.855 -3.269 1.00 0.00 C ATOM 575 CG ASN A 42 98.984 5.095 -3.073 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.700 5.346 -4.022 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.491 5.031 -1.873 1.00 0.00 N ATOM 0 H ASN A 42 97.459 3.317 -5.483 1.00 0.00 H new ATOM 0 HA ASN A 42 97.592 2.819 -2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.142 5.355 -4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.926 5.284 -2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.488 5.192 -1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.890 4.820 -1.076 1.00 0.00 H new ATOM 584 N VAL A 43 95.361 1.929 -3.973 1.00 0.00 N ATOM 585 CA VAL A 43 93.922 1.564 -4.105 1.00 0.00 C ATOM 586 C VAL A 43 93.659 0.232 -3.395 1.00 0.00 C ATOM 587 O VAL A 43 94.464 -0.684 -3.437 1.00 0.00 O ATOM 588 CB VAL A 43 93.668 1.463 -5.616 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.530 0.353 -6.230 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.188 1.157 -5.866 1.00 0.00 C ATOM 0 H VAL A 43 96.015 1.227 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 43 93.256 2.295 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 43 93.932 2.413 -6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.338 0.294 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.584 0.575 -6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.281 -0.601 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 43 92.007 1.085 -6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.926 0.212 -5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.576 1.956 -5.448 1.00 0.00 H new ATOM 600 N GLY A 44 92.535 0.134 -2.733 1.00 0.00 N ATOM 601 CA GLY A 44 92.194 -1.117 -2.001 1.00 0.00 C ATOM 602 C GLY A 44 90.721 -1.087 -1.610 1.00 0.00 C ATOM 603 O GLY A 44 90.070 -0.065 -1.687 1.00 0.00 O ATOM 0 H GLY A 44 91.836 0.874 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.398 -1.985 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.816 -1.212 -1.111 1.00 0.00 H new ATOM 607 N GLY A 45 90.207 -2.199 -1.156 1.00 0.00 N ATOM 608 CA GLY A 45 88.784 -2.251 -0.727 1.00 0.00 C ATOM 609 C GLY A 45 88.677 -1.666 0.677 1.00 0.00 C ATOM 610 O GLY A 45 89.642 -1.638 1.418 1.00 0.00 O ATOM 0 H GLY A 45 90.717 -3.078 -1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.159 -1.688 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.423 -3.280 -0.737 1.00 0.00 H new ATOM 614 N ILE A 46 87.514 -1.210 1.055 1.00 0.00 N ATOM 615 CA ILE A 46 87.335 -0.638 2.415 1.00 0.00 C ATOM 616 C ILE A 46 85.903 -0.961 2.921 1.00 0.00 C ATOM 617 O ILE A 46 84.978 -1.029 2.137 1.00 0.00 O ATOM 618 CB ILE A 46 87.591 0.873 2.252 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.579 1.491 1.273 1.00 0.00 C ATOM 620 CG2 ILE A 46 89.013 1.098 1.723 1.00 0.00 C ATOM 621 CD1 ILE A 46 85.689 2.497 2.007 1.00 0.00 C ATOM 0 H ILE A 46 86.676 -1.210 0.474 1.00 0.00 H new ATOM 0 HA ILE A 46 88.015 -1.053 3.159 1.00 0.00 H new ATOM 0 HB ILE A 46 87.477 1.352 3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 46 87.105 1.986 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 46 85.966 0.707 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.194 2.167 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.733 0.682 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.124 0.605 0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.975 2.930 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.150 1.990 2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 46 86.307 3.288 2.431 1.00 0.00 H new ATOM 633 N PRO A 47 85.781 -1.191 4.215 1.00 0.00 N ATOM 634 CA PRO A 47 84.464 -1.565 4.843 1.00 0.00 C ATOM 635 C PRO A 47 83.353 -0.505 4.711 1.00 0.00 C ATOM 636 O PRO A 47 82.227 -0.764 5.099 1.00 0.00 O ATOM 637 CB PRO A 47 84.830 -1.748 6.321 1.00 0.00 C ATOM 638 CG PRO A 47 86.065 -0.943 6.506 1.00 0.00 C ATOM 639 CD PRO A 47 86.840 -1.120 5.236 1.00 0.00 C ATOM 0 HA PRO A 47 84.044 -2.441 4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 47 84.029 -1.400 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 47 85.002 -2.798 6.559 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.829 0.107 6.681 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.636 -1.289 7.368 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.519 -0.286 5.057 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.445 -2.026 5.255 1.00 0.00 H new ATOM 647 N ASP A 48 83.630 0.675 4.214 1.00 0.00 N ATOM 648 CA ASP A 48 82.546 1.714 4.127 1.00 0.00 C ATOM 649 C ASP A 48 81.904 1.776 2.734 1.00 0.00 C ATOM 650 O ASP A 48 81.307 2.768 2.368 1.00 0.00 O ATOM 651 CB ASP A 48 83.219 3.040 4.480 1.00 0.00 C ATOM 652 CG ASP A 48 83.585 3.063 5.970 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.961 2.341 6.731 1.00 0.00 O ATOM 654 OD2 ASP A 48 84.486 3.806 6.323 1.00 0.00 O1- ATOM 0 H ASP A 48 84.545 0.966 3.868 1.00 0.00 H new ATOM 0 HA ASP A 48 81.729 1.475 4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.116 3.175 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.551 3.869 4.248 1.00 0.00 H new ATOM 659 N ILE A 49 81.988 0.717 1.973 1.00 0.00 N ATOM 660 CA ILE A 49 81.347 0.703 0.618 1.00 0.00 C ATOM 661 C ILE A 49 80.150 -0.257 0.658 1.00 0.00 C ATOM 662 O ILE A 49 80.255 -1.371 1.134 1.00 0.00 O ATOM 663 CB ILE A 49 82.431 0.203 -0.340 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.674 1.106 -0.238 1.00 0.00 C ATOM 665 CG2 ILE A 49 81.907 0.209 -1.778 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.324 2.555 -0.599 1.00 0.00 C ATOM 0 H ILE A 49 82.473 -0.143 2.229 1.00 0.00 H new ATOM 0 HA ILE A 49 80.978 1.679 0.303 1.00 0.00 H new ATOM 0 HB ILE A 49 82.701 -0.816 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.077 1.065 0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.453 0.738 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 49 82.687 -0.149 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.037 -0.444 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 49 81.624 1.224 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.217 3.175 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 49 82.944 2.594 -1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 49 82.562 2.927 0.086 1.00 0.00 H new ATOM 678 N ALA A 50 79.003 0.185 0.197 1.00 0.00 N ATOM 679 CA ALA A 50 77.782 -0.681 0.250 1.00 0.00 C ATOM 680 C ALA A 50 77.678 -1.622 -0.946 1.00 0.00 C ATOM 681 O ALA A 50 77.422 -2.800 -0.774 1.00 0.00 O ATOM 682 CB ALA A 50 76.607 0.296 0.261 1.00 0.00 C ATOM 0 H ALA A 50 78.860 1.108 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 50 77.806 -1.329 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 50 75.671 -0.261 0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.680 0.943 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.631 0.904 -0.643 1.00 0.00 H new ATOM 688 N GLY A 51 77.850 -1.137 -2.150 1.00 0.00 N ATOM 689 CA GLY A 51 77.727 -2.057 -3.313 1.00 0.00 C ATOM 690 C GLY A 51 77.948 -1.332 -4.640 1.00 0.00 C ATOM 691 O GLY A 51 78.918 -0.624 -4.832 1.00 0.00 O ATOM 0 H GLY A 51 78.065 -0.165 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 51 78.453 -2.864 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 51 76.738 -2.515 -3.310 1.00 0.00 H new ATOM 695 N TRP A 52 77.057 -1.551 -5.568 1.00 0.00 N ATOM 696 CA TRP A 52 77.177 -0.940 -6.926 1.00 0.00 C ATOM 697 C TRP A 52 77.317 0.585 -6.886 1.00 0.00 C ATOM 698 O TRP A 52 77.823 1.176 -7.822 1.00 0.00 O ATOM 699 CB TRP A 52 75.887 -1.305 -7.659 1.00 0.00 C ATOM 700 CG TRP A 52 76.088 -1.018 -9.113 1.00 0.00 C ATOM 701 CD1 TRP A 52 76.966 -1.667 -9.911 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.441 -0.014 -9.947 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.900 -1.126 -11.182 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.974 -0.105 -11.256 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.454 0.956 -9.701 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.545 0.737 -12.281 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.018 1.805 -10.732 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.564 1.696 -12.019 1.00 0.00 C ATOM 0 H TRP A 52 76.234 -2.139 -5.441 1.00 0.00 H new ATOM 0 HA TRP A 52 78.075 -1.315 -7.417 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.647 -2.357 -7.507 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.049 -0.727 -7.268 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.613 -2.476 -9.606 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.467 -1.443 -11.969 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.028 1.049 -8.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.968 0.648 -13.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.258 2.546 -10.532 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.226 2.353 -12.807 1.00 0.00 H new ATOM 719 N ASP A 53 76.879 1.235 -5.833 1.00 0.00 N ATOM 720 CA ASP A 53 76.997 2.724 -5.776 1.00 0.00 C ATOM 721 C ASP A 53 77.202 3.198 -4.332 1.00 0.00 C ATOM 722 O ASP A 53 76.377 3.900 -3.777 1.00 0.00 O ATOM 723 CB ASP A 53 75.664 3.250 -6.325 1.00 0.00 C ATOM 724 CG ASP A 53 75.711 3.331 -7.856 1.00 0.00 C ATOM 725 OD1 ASP A 53 76.803 3.357 -8.404 1.00 0.00 O ATOM 726 OD2 ASP A 53 74.650 3.379 -8.455 1.00 0.00 O1- ATOM 0 H ASP A 53 76.448 0.801 -5.017 1.00 0.00 H new ATOM 0 HA ASP A 53 77.851 3.085 -6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 53 74.851 2.594 -6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.455 4.235 -5.909 1.00 0.00 H new ATOM 731 N SER A 54 78.283 2.800 -3.717 1.00 0.00 N ATOM 732 CA SER A 54 78.534 3.202 -2.297 1.00 0.00 C ATOM 733 C SER A 54 78.572 4.733 -2.157 1.00 0.00 C ATOM 734 O SER A 54 79.088 5.413 -3.023 1.00 0.00 O ATOM 735 CB SER A 54 79.895 2.606 -1.950 1.00 0.00 C ATOM 736 OG SER A 54 80.854 3.037 -2.906 1.00 0.00 O ATOM 0 H SER A 54 79.005 2.213 -4.134 1.00 0.00 H new ATOM 0 HA SER A 54 77.745 2.848 -1.633 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.197 2.917 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 54 79.837 1.518 -1.942 1.00 0.00 H new ATOM 0 HG SER A 54 80.921 2.374 -3.624 1.00 0.00 H new ATOM 742 N PRO A 55 78.028 5.237 -1.066 1.00 0.00 N ATOM 743 CA PRO A 55 78.022 6.701 -0.841 1.00 0.00 C ATOM 744 C PRO A 55 79.399 7.184 -0.371 1.00 0.00 C ATOM 745 O PRO A 55 79.726 8.350 -0.486 1.00 0.00 O ATOM 746 CB PRO A 55 76.982 6.897 0.256 1.00 0.00 C ATOM 747 CG PRO A 55 76.933 5.596 0.994 1.00 0.00 C ATOM 748 CD PRO A 55 77.377 4.514 0.042 1.00 0.00 C ATOM 0 HA PRO A 55 77.794 7.265 -1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.261 7.715 0.920 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.008 7.146 -0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.583 5.627 1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 55 75.924 5.398 1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.068 3.822 0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.530 3.926 -0.312 1.00 0.00 H new ATOM 756 N SER A 56 80.202 6.296 0.169 1.00 0.00 N ATOM 757 CA SER A 56 81.552 6.701 0.658 1.00 0.00 C ATOM 758 C SER A 56 82.633 6.384 -0.382 1.00 0.00 C ATOM 759 O SER A 56 83.808 6.396 -0.076 1.00 0.00 O ATOM 760 CB SER A 56 81.774 5.874 1.921 1.00 0.00 C ATOM 761 OG SER A 56 80.754 6.173 2.864 1.00 0.00 O ATOM 0 H SER A 56 79.977 5.309 0.290 1.00 0.00 H new ATOM 0 HA SER A 56 81.609 7.773 0.845 1.00 0.00 H new ATOM 0 HB2 SER A 56 81.762 4.811 1.680 1.00 0.00 H new ATOM 0 HB3 SER A 56 82.754 6.094 2.346 1.00 0.00 H new ATOM 0 HG SER A 56 80.893 5.642 3.676 1.00 0.00 H new ATOM 767 N CYS A 57 82.253 6.090 -1.601 1.00 0.00 N ATOM 768 CA CYS A 57 83.277 5.774 -2.641 1.00 0.00 C ATOM 769 C CYS A 57 84.084 7.034 -2.968 1.00 0.00 C ATOM 770 O CYS A 57 83.548 8.123 -3.042 1.00 0.00 O ATOM 771 CB CYS A 57 82.485 5.295 -3.866 1.00 0.00 C ATOM 772 SG CYS A 57 83.204 3.762 -4.509 1.00 0.00 S ATOM 0 H CYS A 57 81.284 6.056 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 57 83.986 5.015 -2.310 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.442 5.131 -3.594 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.495 6.063 -4.639 1.00 0.00 H new ATOM 777 N GLY A 58 85.367 6.885 -3.177 1.00 0.00 N ATOM 778 CA GLY A 58 86.218 8.063 -3.515 1.00 0.00 C ATOM 779 C GLY A 58 86.567 8.850 -2.248 1.00 0.00 C ATOM 780 O GLY A 58 86.545 10.066 -2.239 1.00 0.00 O ATOM 0 H GLY A 58 85.862 5.995 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.132 7.730 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.693 8.709 -4.219 1.00 0.00 H new ATOM 784 N THR A 59 86.898 8.166 -1.182 1.00 0.00 N ATOM 785 CA THR A 59 87.261 8.869 0.088 1.00 0.00 C ATOM 786 C THR A 59 88.691 8.507 0.503 1.00 0.00 C ATOM 787 O THR A 59 89.087 7.359 0.527 1.00 0.00 O ATOM 788 CB THR A 59 86.237 8.412 1.130 1.00 0.00 C ATOM 789 OG1 THR A 59 84.937 8.774 0.691 1.00 0.00 O ATOM 790 CG2 THR A 59 86.523 9.093 2.470 1.00 0.00 C ATOM 0 H THR A 59 86.933 7.148 -1.136 1.00 0.00 H new ATOM 0 HA THR A 59 87.238 9.953 -0.023 1.00 0.00 H new ATOM 0 HB THR A 59 86.302 7.331 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.492 7.991 0.305 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.792 8.765 3.208 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.524 8.826 2.807 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.457 10.174 2.350 1.00 0.00 H new ATOM 798 N CYS A 60 89.467 9.516 0.789 1.00 0.00 N ATOM 799 CA CYS A 60 90.903 9.317 1.166 1.00 0.00 C ATOM 800 C CYS A 60 91.062 8.900 2.635 1.00 0.00 C ATOM 801 O CYS A 60 90.402 9.423 3.513 1.00 0.00 O ATOM 802 CB CYS A 60 91.531 10.700 0.964 1.00 0.00 C ATOM 803 SG CYS A 60 93.321 10.599 1.211 1.00 0.00 S ATOM 0 H CYS A 60 89.164 10.490 0.778 1.00 0.00 H new ATOM 0 HA CYS A 60 91.364 8.527 0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 60 91.313 11.066 -0.039 1.00 0.00 H new ATOM 0 HB3 CYS A 60 91.097 11.413 1.665 1.00 0.00 H new ATOM 808 N TRP A 61 91.963 7.985 2.906 1.00 0.00 N ATOM 809 CA TRP A 61 92.207 7.553 4.318 1.00 0.00 C ATOM 810 C TRP A 61 93.684 7.229 4.527 1.00 0.00 C ATOM 811 O TRP A 61 94.369 6.801 3.616 1.00 0.00 O ATOM 812 CB TRP A 61 91.388 6.287 4.523 1.00 0.00 C ATOM 813 CG TRP A 61 89.968 6.633 4.808 1.00 0.00 C ATOM 814 CD1 TRP A 61 89.012 6.754 3.874 1.00 0.00 C ATOM 815 CD2 TRP A 61 89.327 6.904 6.090 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.810 7.030 4.494 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.955 7.159 5.861 1.00 0.00 C ATOM 818 CE3 TRP A 61 89.794 6.946 7.415 1.00 0.00 C ATOM 819 CZ2 TRP A 61 87.077 7.444 6.906 1.00 0.00 C ATOM 820 CZ3 TRP A 61 88.915 7.237 8.471 1.00 0.00 C ATOM 821 CH2 TRP A 61 87.558 7.486 8.217 1.00 0.00 C ATOM 0 H TRP A 61 92.541 7.518 2.207 1.00 0.00 H new ATOM 0 HA TRP A 61 91.929 8.341 5.018 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.445 5.660 3.633 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.801 5.708 5.349 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.159 6.652 2.809 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.922 7.127 4.002 1.00 0.00 H new ATOM 0 HE3 TRP A 61 90.836 6.753 7.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 86.033 7.631 6.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 89.286 7.269 9.485 1.00 0.00 H new ATOM 0 HH2 TRP A 61 86.887 7.710 9.033 1.00 0.00 H new ATOM 832 N LYS A 62 94.173 7.406 5.725 1.00 0.00 N ATOM 833 CA LYS A 62 95.598 7.086 6.012 1.00 0.00 C ATOM 834 C LYS A 62 95.657 5.843 6.902 1.00 0.00 C ATOM 835 O LYS A 62 94.935 5.741 7.877 1.00 0.00 O ATOM 836 CB LYS A 62 96.143 8.310 6.748 1.00 0.00 C ATOM 837 CG LYS A 62 97.658 8.179 6.901 1.00 0.00 C ATOM 838 CD LYS A 62 98.207 9.405 7.634 1.00 0.00 C ATOM 839 CE LYS A 62 99.727 9.285 7.755 1.00 0.00 C ATOM 840 NZ LYS A 62 100.177 10.586 8.326 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.642 7.761 6.521 1.00 0.00 H new ATOM 0 HA LYS A 62 96.178 6.876 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.900 9.218 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.674 8.397 7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.901 7.272 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 62 98.126 8.089 5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.945 10.314 7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.757 9.482 8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 62 100.006 8.453 8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 62 100.186 9.101 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 101.211 10.577 8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.904 11.359 7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 99.730 10.731 9.254 1.00 0.00 H new ATOM 854 N VAL A 63 96.497 4.896 6.573 1.00 0.00 N ATOM 855 CA VAL A 63 96.584 3.656 7.402 1.00 0.00 C ATOM 856 C VAL A 63 97.916 3.630 8.154 1.00 0.00 C ATOM 857 O VAL A 63 98.964 3.841 7.575 1.00 0.00 O ATOM 858 CB VAL A 63 96.480 2.495 6.406 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.542 1.165 7.158 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.150 2.587 5.654 1.00 0.00 C ATOM 0 H VAL A 63 97.124 4.927 5.769 1.00 0.00 H new ATOM 0 HA VAL A 63 95.798 3.597 8.155 1.00 0.00 H new ATOM 0 HB VAL A 63 97.307 2.552 5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.468 0.342 6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.487 1.095 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.715 1.109 7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.075 1.762 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.326 2.531 6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.101 3.533 5.115 1.00 0.00 H new ATOM 870 N THR A 64 97.871 3.417 9.447 1.00 0.00 N ATOM 871 CA THR A 64 99.119 3.422 10.271 1.00 0.00 C ATOM 872 C THR A 64 99.340 2.077 10.971 1.00 0.00 C ATOM 873 O THR A 64 98.401 1.441 11.425 1.00 0.00 O ATOM 874 CB THR A 64 98.869 4.506 11.320 1.00 0.00 C ATOM 875 OG1 THR A 64 98.485 5.710 10.671 1.00 0.00 O ATOM 876 CG2 THR A 64 100.147 4.744 12.128 1.00 0.00 C ATOM 0 H THR A 64 97.014 3.238 9.971 1.00 0.00 H new ATOM 0 HA THR A 64 100.003 3.600 9.658 1.00 0.00 H new ATOM 0 HB THR A 64 98.073 4.185 11.992 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.323 6.406 11.342 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.967 5.517 12.875 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.440 3.820 12.626 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.946 5.065 11.459 1.00 0.00 H new ATOM 884 N ILE A 65 100.576 1.647 11.069 1.00 0.00 N ATOM 885 CA ILE A 65 100.870 0.343 11.746 1.00 0.00 C ATOM 886 C ILE A 65 101.797 0.568 12.963 1.00 0.00 C ATOM 887 O ILE A 65 102.393 1.620 13.091 1.00 0.00 O ATOM 888 CB ILE A 65 101.544 -0.523 10.672 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.824 0.162 10.180 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.588 -0.712 9.493 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.719 -0.868 9.487 1.00 0.00 C ATOM 0 H ILE A 65 101.393 2.142 10.710 1.00 0.00 H new ATOM 0 HA ILE A 65 99.972 -0.138 12.134 1.00 0.00 H new ATOM 0 HB ILE A 65 101.794 -1.493 11.101 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.576 0.968 9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.353 0.614 11.019 1.00 0.00 H new ATOM 0 HG21 ILE A 65 101.067 -1.327 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.678 -1.204 9.837 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.336 0.260 9.069 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.630 -0.382 9.137 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.978 -1.658 10.192 1.00 0.00 H new ATOM 0 HD13 ILE A 65 103.188 -1.299 8.638 1.00 0.00 H new ATOM 903 N PRO A 66 101.865 -0.422 13.838 1.00 0.00 N ATOM 904 CA PRO A 66 102.701 -0.311 15.074 1.00 0.00 C ATOM 905 C PRO A 66 104.194 -0.147 14.765 1.00 0.00 C ATOM 906 O PRO A 66 104.941 0.374 15.574 1.00 0.00 O ATOM 907 CB PRO A 66 102.442 -1.636 15.795 1.00 0.00 C ATOM 908 CG PRO A 66 102.003 -2.570 14.721 1.00 0.00 C ATOM 909 CD PRO A 66 101.195 -1.735 13.773 1.00 0.00 C ATOM 0 HA PRO A 66 102.441 0.569 15.662 1.00 0.00 H new ATOM 0 HB2 PRO A 66 103.341 -1.999 16.292 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.676 -1.526 16.562 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.859 -3.019 14.217 1.00 0.00 H new ATOM 0 HG3 PRO A 66 101.408 -3.387 15.130 1.00 0.00 H new ATOM 0 HD2 PRO A 66 101.206 -2.145 12.763 1.00 0.00 H new ATOM 0 HD3 PRO A 66 100.151 -1.672 14.080 1.00 0.00 H new ATOM 917 N ASN A 67 104.636 -0.577 13.611 1.00 0.00 N ATOM 918 CA ASN A 67 106.087 -0.435 13.263 1.00 0.00 C ATOM 919 C ASN A 67 106.444 1.047 13.119 1.00 0.00 C ATOM 920 O ASN A 67 107.494 1.493 13.545 1.00 0.00 O ATOM 921 CB ASN A 67 106.258 -1.160 11.928 1.00 0.00 C ATOM 922 CG ASN A 67 106.108 -2.667 12.138 1.00 0.00 C ATOM 923 OD1 ASN A 67 106.350 -3.169 13.218 1.00 0.00 O ATOM 924 ND2 ASN A 67 105.713 -3.416 11.145 1.00 0.00 N ATOM 0 H ASN A 67 104.059 -1.019 12.895 1.00 0.00 H new ATOM 0 HA ASN A 67 106.738 -0.852 14.031 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.515 -0.807 11.213 1.00 0.00 H new ATOM 0 HB3 ASN A 67 107.238 -0.938 11.505 1.00 0.00 H new ATOM 0 HD21 ASN A 67 105.608 -4.422 11.276 1.00 0.00 H new ATOM 0 HD22 ASN A 67 105.510 -2.995 10.238 1.00 0.00 H new ATOM 931 N GLY A 68 105.563 1.802 12.525 1.00 0.00 N ATOM 932 CA GLY A 68 105.817 3.261 12.348 1.00 0.00 C ATOM 933 C GLY A 68 105.867 3.603 10.861 1.00 0.00 C ATOM 934 O GLY A 68 106.861 4.098 10.362 1.00 0.00 O ATOM 0 H GLY A 68 104.673 1.471 12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 68 105.032 3.838 12.836 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.758 3.536 12.825 1.00 0.00 H new ATOM 938 N ASN A 69 104.795 3.361 10.156 1.00 0.00 N ATOM 939 CA ASN A 69 104.755 3.684 8.703 1.00 0.00 C ATOM 940 C ASN A 69 103.299 3.777 8.252 1.00 0.00 C ATOM 941 O ASN A 69 102.432 3.129 8.819 1.00 0.00 O ATOM 942 CB ASN A 69 105.474 2.527 8.007 1.00 0.00 C ATOM 943 CG ASN A 69 105.744 2.894 6.544 1.00 0.00 C ATOM 944 OD1 ASN A 69 105.729 4.054 6.180 1.00 0.00 O ATOM 945 ND2 ASN A 69 105.997 1.946 5.684 1.00 0.00 N ATOM 0 H ASN A 69 103.939 2.950 10.529 1.00 0.00 H new ATOM 0 HA ASN A 69 105.231 4.636 8.468 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.413 2.310 8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.866 1.624 8.059 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.182 2.179 4.708 1.00 0.00 H new ATOM 0 HD22 ASN A 69 106.010 0.972 5.987 1.00 0.00 H new ATOM 952 N SER A 70 103.013 4.577 7.258 1.00 0.00 N ATOM 953 CA SER A 70 101.601 4.704 6.799 1.00 0.00 C ATOM 954 C SER A 70 101.510 5.051 5.311 1.00 0.00 C ATOM 955 O SER A 70 102.418 5.601 4.721 1.00 0.00 O ATOM 956 CB SER A 70 101.009 5.825 7.648 1.00 0.00 C ATOM 957 OG SER A 70 101.286 5.573 9.019 1.00 0.00 O ATOM 0 H SER A 70 103.691 5.143 6.749 1.00 0.00 H new ATOM 0 HA SER A 70 101.064 3.763 6.915 1.00 0.00 H new ATOM 0 HB2 SER A 70 101.432 6.784 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 70 99.933 5.888 7.488 1.00 0.00 H new ATOM 0 HG SER A 70 100.908 6.292 9.567 1.00 0.00 H new ATOM 963 N ILE A 71 100.393 4.732 4.721 1.00 0.00 N ATOM 964 CA ILE A 71 100.150 5.023 3.276 1.00 0.00 C ATOM 965 C ILE A 71 98.721 5.539 3.120 1.00 0.00 C ATOM 966 O ILE A 71 97.920 5.408 4.029 1.00 0.00 O ATOM 967 CB ILE A 71 100.317 3.686 2.539 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.362 2.637 3.117 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.757 3.196 2.678 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.349 1.407 2.208 1.00 0.00 C ATOM 0 H ILE A 71 99.616 4.269 5.191 1.00 0.00 H new ATOM 0 HA ILE A 71 100.834 5.773 2.879 1.00 0.00 H new ATOM 0 HB ILE A 71 100.083 3.836 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.677 2.357 4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.357 3.051 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.871 2.247 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.435 3.932 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 71 101.994 3.058 3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.670 0.659 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.014 1.695 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.354 0.990 2.146 1.00 0.00 H new ATOM 982 N PHE A 72 98.382 6.121 1.994 1.00 0.00 N ATOM 983 CA PHE A 72 96.987 6.632 1.835 1.00 0.00 C ATOM 984 C PHE A 72 96.201 5.730 0.882 1.00 0.00 C ATOM 985 O PHE A 72 96.632 5.446 -0.220 1.00 0.00 O ATOM 986 CB PHE A 72 97.130 8.039 1.253 1.00 0.00 C ATOM 987 CG PHE A 72 97.896 8.911 2.218 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.227 9.538 3.275 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.275 9.093 2.053 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.936 10.346 4.171 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.984 9.902 2.949 1.00 0.00 C ATOM 992 CZ PHE A 72 99.315 10.528 4.008 1.00 0.00 C ATOM 0 H PHE A 72 98.998 6.262 1.194 1.00 0.00 H new ATOM 0 HA PHE A 72 96.446 6.644 2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.649 7.996 0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.146 8.467 1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.163 9.398 3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.790 8.610 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.420 10.829 4.988 1.00 0.00 H new ATOM 0 HE2 PHE A 72 101.047 10.043 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.863 11.151 4.699 1.00 0.00 H new ATOM 1002 N ILE A 73 95.054 5.274 1.310 1.00 0.00 N ATOM 1003 CA ILE A 73 94.228 4.378 0.448 1.00 0.00 C ATOM 1004 C ILE A 73 92.907 5.062 0.093 1.00 0.00 C ATOM 1005 O ILE A 73 92.213 5.563 0.960 1.00 0.00 O ATOM 1006 CB ILE A 73 93.980 3.123 1.297 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.322 2.466 1.668 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.117 2.124 0.518 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.099 2.080 0.401 1.00 0.00 C ATOM 0 H ILE A 73 94.652 5.484 2.223 1.00 0.00 H new ATOM 0 HA ILE A 73 94.722 4.137 -0.493 1.00 0.00 H new ATOM 0 HB ILE A 73 93.457 3.413 2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 73 95.916 3.153 2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.144 1.580 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 73 92.947 1.237 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.160 2.584 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.630 1.839 -0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.045 1.617 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.510 1.376 -0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.294 2.973 -0.192 1.00 0.00 H new ATOM 1021 N ARG A 74 92.552 5.088 -1.168 1.00 0.00 N ATOM 1022 CA ARG A 74 91.272 5.734 -1.567 1.00 0.00 C ATOM 1023 C ARG A 74 90.218 4.642 -1.768 1.00 0.00 C ATOM 1024 O ARG A 74 90.483 3.607 -2.349 1.00 0.00 O ATOM 1025 CB ARG A 74 91.599 6.481 -2.864 1.00 0.00 C ATOM 1026 CG ARG A 74 90.423 7.362 -3.284 1.00 0.00 C ATOM 1027 CD ARG A 74 90.792 8.107 -4.572 1.00 0.00 C ATOM 1028 NE ARG A 74 89.629 8.992 -4.859 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.818 10.160 -5.411 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.708 10.978 -4.919 1.00 0.00 N1+ ATOM 1031 NH2 ARG A 74 89.117 10.511 -6.454 1.00 0.00 N ATOM 0 H ARG A 74 93.095 4.690 -1.934 1.00 0.00 H new ATOM 0 HA ARG A 74 90.870 6.424 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.489 7.095 -2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.827 5.766 -3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.534 6.752 -3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.184 8.073 -2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.706 8.687 -4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.969 7.411 -5.392 1.00 0.00 H new ATOM 0 HE ARG A 74 88.685 8.686 -4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.256 10.705 -4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 74 90.856 11.890 -5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.421 9.873 -6.839 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.265 11.424 -6.885 1.00 0.00 H new ATOM 1045 N GLY A 75 89.036 4.856 -1.250 1.00 0.00 N ATOM 1046 CA GLY A 75 87.957 3.827 -1.355 1.00 0.00 C ATOM 1047 C GLY A 75 87.708 3.432 -2.810 1.00 0.00 C ATOM 1048 O GLY A 75 87.839 4.230 -3.718 1.00 0.00 O ATOM 0 H GLY A 75 88.770 5.707 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.235 2.945 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.037 4.216 -0.919 1.00 0.00 H new ATOM 1052 N VAL A 76 87.325 2.199 -3.026 1.00 0.00 N ATOM 1053 CA VAL A 76 87.032 1.709 -4.408 1.00 0.00 C ATOM 1054 C VAL A 76 86.145 0.440 -4.345 1.00 0.00 C ATOM 1055 O VAL A 76 85.256 0.263 -5.154 1.00 0.00 O ATOM 1056 CB VAL A 76 88.412 1.433 -5.045 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.019 0.122 -4.527 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.253 1.338 -6.564 1.00 0.00 C ATOM 0 H VAL A 76 87.201 1.501 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 76 86.475 2.432 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 76 89.080 2.251 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 76 89.989 -0.040 -4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.144 0.181 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.355 -0.708 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.224 1.143 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.568 0.526 -6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.854 2.277 -6.947 1.00 0.00 H new ATOM 1068 N ASP A 77 86.373 -0.433 -3.386 1.00 0.00 N ATOM 1069 CA ASP A 77 85.555 -1.681 -3.248 1.00 0.00 C ATOM 1070 C ASP A 77 85.134 -1.858 -1.783 1.00 0.00 C ATOM 1071 O ASP A 77 85.600 -1.154 -0.916 1.00 0.00 O ATOM 1072 CB ASP A 77 86.493 -2.818 -3.662 1.00 0.00 C ATOM 1073 CG ASP A 77 85.758 -4.160 -3.559 1.00 0.00 C ATOM 1074 OD1 ASP A 77 84.938 -4.437 -4.420 1.00 0.00 O ATOM 1075 OD2 ASP A 77 86.021 -4.885 -2.613 1.00 0.00 O1- ATOM 0 H ASP A 77 87.105 -0.329 -2.683 1.00 0.00 H new ATOM 0 HA ASP A 77 84.650 -1.655 -3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 77 86.841 -2.661 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 77 87.375 -2.826 -3.022 1.00 0.00 H new ATOM 1080 N SER A 78 84.247 -2.785 -1.508 1.00 0.00 N ATOM 1081 CA SER A 78 83.794 -3.005 -0.099 1.00 0.00 C ATOM 1082 C SER A 78 84.563 -4.161 0.548 1.00 0.00 C ATOM 1083 O SER A 78 85.141 -4.990 -0.128 1.00 0.00 O ATOM 1084 CB SER A 78 82.307 -3.338 -0.209 1.00 0.00 C ATOM 1085 OG SER A 78 82.154 -4.598 -0.848 1.00 0.00 O ATOM 0 H SER A 78 83.817 -3.399 -2.200 1.00 0.00 H new ATOM 0 HA SER A 78 83.972 -2.131 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 78 81.854 -3.362 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 78 81.790 -2.564 -0.777 1.00 0.00 H new ATOM 0 HG SER A 78 81.201 -4.815 -0.919 1.00 0.00 H new ATOM 1091 N GLY A 79 84.572 -4.210 1.858 1.00 0.00 N ATOM 1092 CA GLY A 79 85.303 -5.299 2.565 1.00 0.00 C ATOM 1093 C GLY A 79 84.394 -5.950 3.609 1.00 0.00 C ATOM 1094 O GLY A 79 83.631 -5.290 4.288 1.00 0.00 O ATOM 0 H GLY A 79 84.102 -3.539 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.640 -6.047 1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.194 -4.896 3.047 1.00 0.00 H new ATOM 1098 N ARG A 80 84.495 -7.242 3.748 1.00 0.00 N ATOM 1099 CA ARG A 80 83.667 -7.974 4.760 1.00 0.00 C ATOM 1100 C ARG A 80 83.973 -7.471 6.175 1.00 0.00 C ATOM 1101 O ARG A 80 83.087 -7.327 6.996 1.00 0.00 O ATOM 1102 CB ARG A 80 84.080 -9.440 4.617 1.00 0.00 C ATOM 1103 CG ARG A 80 83.564 -9.988 3.285 1.00 0.00 C ATOM 1104 CD ARG A 80 83.976 -11.455 3.141 1.00 0.00 C ATOM 1105 NE ARG A 80 83.325 -12.163 4.282 1.00 0.00 N ATOM 1106 CZ ARG A 80 83.573 -13.427 4.491 1.00 0.00 C ATOM 1107 NH1 ARG A 80 83.274 -14.310 3.578 1.00 0.00 N ATOM 1108 NH2 ARG A 80 84.119 -13.808 5.613 1.00 0.00 N1+ ATOM 0 H ARG A 80 85.121 -7.832 3.200 1.00 0.00 H new ATOM 0 HA ARG A 80 82.599 -7.826 4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.165 -9.529 4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.677 -10.025 5.444 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.479 -9.898 3.239 1.00 0.00 H new ATOM 0 HG3 ARG A 80 83.968 -9.403 2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 80 83.647 -11.864 2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 80 85.060 -11.564 3.178 1.00 0.00 H new ATOM 0 HE ARG A 80 82.687 -11.659 4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 80 82.847 -14.012 2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 80 83.468 -15.298 3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 80 84.352 -13.118 6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 80 84.313 -14.796 5.776 1.00 0.00 H new ATOM 1122 N GLY A 81 85.223 -7.213 6.462 1.00 0.00 N ATOM 1123 CA GLY A 81 85.596 -6.728 7.825 1.00 0.00 C ATOM 1124 C GLY A 81 87.087 -6.389 7.880 1.00 0.00 C ATOM 1125 O GLY A 81 87.865 -7.087 8.504 1.00 0.00 O ATOM 0 H GLY A 81 86.002 -7.317 5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 81 85.006 -5.847 8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.362 -7.492 8.567 1.00 0.00 H new ATOM 1129 N GLY A 82 87.485 -5.316 7.245 1.00 0.00 N ATOM 1130 CA GLY A 82 88.922 -4.923 7.277 1.00 0.00 C ATOM 1131 C GLY A 82 89.295 -4.176 5.997 1.00 0.00 C ATOM 1132 O GLY A 82 88.545 -4.144 5.041 1.00 0.00 O ATOM 0 H GLY A 82 86.877 -4.698 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.114 -4.291 8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.547 -5.810 7.384 1.00 0.00 H new ATOM 1136 N PHE A 83 90.455 -3.579 5.980 1.00 0.00 N ATOM 1137 CA PHE A 83 90.920 -2.823 4.782 1.00 0.00 C ATOM 1138 C PHE A 83 91.866 -3.694 3.949 1.00 0.00 C ATOM 1139 O PHE A 83 92.819 -4.249 4.462 1.00 0.00 O ATOM 1140 CB PHE A 83 91.682 -1.636 5.369 1.00 0.00 C ATOM 1141 CG PHE A 83 90.726 -0.723 6.107 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.102 0.319 5.423 1.00 0.00 C ATOM 1143 CD2 PHE A 83 90.470 -0.914 7.472 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.222 1.174 6.096 1.00 0.00 C ATOM 1145 CE2 PHE A 83 89.585 -0.057 8.145 1.00 0.00 C ATOM 1146 CZ PHE A 83 88.962 0.990 7.452 1.00 0.00 C ATOM 0 H PHE A 83 91.112 -3.583 6.760 1.00 0.00 H new ATOM 0 HA PHE A 83 90.103 -2.520 4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.457 -1.991 6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.183 -1.085 4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.298 0.467 4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 83 90.953 -1.719 8.005 1.00 0.00 H new ATOM 0 HE1 PHE A 83 88.742 1.980 5.561 1.00 0.00 H new ATOM 0 HE2 PHE A 83 89.384 -0.204 9.196 1.00 0.00 H new ATOM 0 HZ PHE A 83 88.282 1.652 7.968 1.00 0.00 H new ATOM 1156 N ASN A 84 91.613 -3.816 2.668 1.00 0.00 N ATOM 1157 CA ASN A 84 92.503 -4.651 1.806 1.00 0.00 C ATOM 1158 C ASN A 84 93.097 -3.784 0.692 1.00 0.00 C ATOM 1159 O ASN A 84 92.383 -3.052 0.037 1.00 0.00 O ATOM 1160 CB ASN A 84 91.581 -5.729 1.232 1.00 0.00 C ATOM 1161 CG ASN A 84 92.408 -6.786 0.502 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.439 -6.485 -0.065 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.997 -8.026 0.495 1.00 0.00 N ATOM 0 H ASN A 84 90.831 -3.374 2.185 1.00 0.00 H new ATOM 0 HA ASN A 84 93.341 -5.086 2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 84 91.007 -6.194 2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.863 -5.279 0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.542 -8.741 0.013 1.00 0.00 H new ATOM 0 HD22 ASN A 84 91.131 -8.279 0.971 1.00 0.00 H new ATOM 1170 N VAL A 85 94.390 -3.836 0.479 1.00 0.00 N ATOM 1171 CA VAL A 85 94.998 -2.979 -0.590 1.00 0.00 C ATOM 1172 C VAL A 85 95.919 -3.791 -1.498 1.00 0.00 C ATOM 1173 O VAL A 85 96.179 -4.953 -1.257 1.00 0.00 O ATOM 1174 CB VAL A 85 95.803 -1.907 0.156 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.857 -1.053 1.003 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.844 -2.572 1.067 1.00 0.00 C ATOM 0 H VAL A 85 95.045 -4.427 0.992 1.00 0.00 H new ATOM 0 HA VAL A 85 94.230 -2.549 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 85 96.314 -1.276 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.430 -0.292 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.124 -0.571 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.342 -1.687 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.411 -1.804 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.338 -3.210 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.523 -3.175 0.464 1.00 0.00 H new ATOM 1186 N ASN A 86 96.420 -3.183 -2.546 1.00 0.00 N ATOM 1187 CA ASN A 86 97.336 -3.921 -3.473 1.00 0.00 C ATOM 1188 C ASN A 86 98.525 -4.498 -2.688 1.00 0.00 C ATOM 1189 O ASN A 86 98.897 -3.961 -1.663 1.00 0.00 O ATOM 1190 CB ASN A 86 97.837 -2.871 -4.471 1.00 0.00 C ATOM 1191 CG ASN A 86 96.704 -2.458 -5.411 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.557 -2.790 -5.188 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.980 -1.736 -6.462 1.00 0.00 N ATOM 0 H ASN A 86 96.236 -2.212 -2.799 1.00 0.00 H new ATOM 0 HA ASN A 86 96.831 -4.751 -3.968 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.212 -1.999 -3.936 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.670 -3.274 -5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.233 -1.451 -7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.943 -1.457 -6.650 1.00 0.00 H new ATOM 1200 N PRO A 87 99.092 -5.571 -3.188 1.00 0.00 N ATOM 1201 CA PRO A 87 100.248 -6.193 -2.503 1.00 0.00 C ATOM 1202 C PRO A 87 101.443 -5.248 -2.534 1.00 0.00 C ATOM 1203 O PRO A 87 102.283 -5.295 -1.657 1.00 0.00 O ATOM 1204 CB PRO A 87 100.507 -7.472 -3.298 1.00 0.00 C ATOM 1205 CG PRO A 87 99.927 -7.199 -4.647 1.00 0.00 C ATOM 1206 CD PRO A 87 98.742 -6.296 -4.421 1.00 0.00 C ATOM 0 HA PRO A 87 100.066 -6.406 -1.450 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.573 -7.691 -3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.032 -8.334 -2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.661 -6.723 -5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.623 -8.125 -5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.591 -5.614 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.820 -6.866 -4.304 1.00 0.00 H new ATOM 1214 N THR A 88 101.524 -4.370 -3.501 1.00 0.00 N ATOM 1215 CA THR A 88 102.667 -3.413 -3.534 1.00 0.00 C ATOM 1216 C THR A 88 102.501 -2.400 -2.399 1.00 0.00 C ATOM 1217 O THR A 88 103.456 -2.045 -1.736 1.00 0.00 O ATOM 1218 CB THR A 88 102.598 -2.730 -4.893 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.658 -3.710 -5.920 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.774 -1.763 -5.041 1.00 0.00 C ATOM 0 H THR A 88 100.853 -4.276 -4.263 1.00 0.00 H new ATOM 0 HA THR A 88 103.631 -3.904 -3.399 1.00 0.00 H new ATOM 0 HB THR A 88 101.662 -2.177 -4.973 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.612 -3.270 -6.795 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.723 -1.275 -6.014 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.727 -1.010 -4.254 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.711 -2.314 -4.960 1.00 0.00 H new ATOM 1228 N ALA A 89 101.294 -1.951 -2.154 1.00 0.00 N ATOM 1229 CA ALA A 89 101.074 -0.982 -1.041 1.00 0.00 C ATOM 1230 C ALA A 89 101.302 -1.701 0.284 1.00 0.00 C ATOM 1231 O ALA A 89 101.905 -1.167 1.196 1.00 0.00 O ATOM 1232 CB ALA A 89 99.615 -0.523 -1.168 1.00 0.00 C ATOM 0 H ALA A 89 100.457 -2.213 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 89 101.752 -0.129 -1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.388 0.192 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.465 -0.050 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.953 -1.385 -1.078 1.00 0.00 H new ATOM 1238 N PHE A 90 100.838 -2.916 0.384 1.00 0.00 N ATOM 1239 CA PHE A 90 101.039 -3.697 1.648 1.00 0.00 C ATOM 1240 C PHE A 90 102.535 -3.871 1.946 1.00 0.00 C ATOM 1241 O PHE A 90 102.985 -3.632 3.051 1.00 0.00 O ATOM 1242 CB PHE A 90 100.404 -5.063 1.376 1.00 0.00 C ATOM 1243 CG PHE A 90 100.445 -5.889 2.638 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.559 -6.691 2.916 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.373 -5.845 3.537 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.599 -7.450 4.091 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.414 -6.602 4.712 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.527 -7.405 4.990 1.00 0.00 C ATOM 0 H PHE A 90 100.328 -3.406 -0.351 1.00 0.00 H new ATOM 0 HA PHE A 90 100.597 -3.193 2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.374 -4.939 1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.939 -5.573 0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.387 -6.724 2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.514 -5.226 3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.457 -8.070 4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.587 -6.567 5.405 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.558 -7.989 5.898 1.00 0.00 H new ATOM 1258 N THR A 91 103.297 -4.312 0.979 1.00 0.00 N ATOM 1259 CA THR A 91 104.760 -4.539 1.206 1.00 0.00 C ATOM 1260 C THR A 91 105.446 -3.235 1.618 1.00 0.00 C ATOM 1261 O THR A 91 106.331 -3.221 2.444 1.00 0.00 O ATOM 1262 CB THR A 91 105.318 -5.034 -0.133 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.650 -6.227 -0.508 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.812 -5.331 0.016 1.00 0.00 C ATOM 0 H THR A 91 102.970 -4.526 0.037 1.00 0.00 H new ATOM 0 HA THR A 91 104.934 -5.259 2.005 1.00 0.00 H new ATOM 0 HB THR A 91 105.166 -4.267 -0.893 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.807 -6.003 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.210 -5.683 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.336 -4.423 0.314 1.00 0.00 H new ATOM 0 HG23 THR A 91 106.956 -6.099 0.776 1.00 0.00 H new ATOM 1272 N LYS A 92 105.045 -2.151 1.023 1.00 0.00 N ATOM 1273 CA LYS A 92 105.673 -0.840 1.363 1.00 0.00 C ATOM 1274 C LYS A 92 105.277 -0.393 2.772 1.00 0.00 C ATOM 1275 O LYS A 92 106.084 0.148 3.508 1.00 0.00 O ATOM 1276 CB LYS A 92 105.140 0.146 0.332 1.00 0.00 C ATOM 1277 CG LYS A 92 105.740 -0.166 -1.041 1.00 0.00 C ATOM 1278 CD LYS A 92 105.198 0.831 -2.067 1.00 0.00 C ATOM 1279 CE LYS A 92 105.791 0.527 -3.444 1.00 0.00 C ATOM 1280 NZ LYS A 92 105.136 1.499 -4.364 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.311 -2.111 0.316 1.00 0.00 H new ATOM 0 HA LYS A 92 106.761 -0.905 1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 92 104.053 0.086 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.391 1.165 0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.827 -0.106 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.488 -1.184 -1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 92 104.110 0.771 -2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.450 1.848 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 92 106.874 0.650 -3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.587 -0.501 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 105.490 1.355 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 104.106 1.353 -4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 105.353 2.468 -4.057 1.00 0.00 H new ATOM 1294 N LEU A 93 104.043 -0.601 3.146 1.00 0.00 N ATOM 1295 CA LEU A 93 103.589 -0.172 4.505 1.00 0.00 C ATOM 1296 C LEU A 93 104.214 -1.035 5.610 1.00 0.00 C ATOM 1297 O LEU A 93 104.628 -0.526 6.635 1.00 0.00 O ATOM 1298 CB LEU A 93 102.065 -0.331 4.482 1.00 0.00 C ATOM 1299 CG LEU A 93 101.468 0.072 5.834 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.622 1.580 6.046 1.00 0.00 C ATOM 1301 CD2 LEU A 93 99.983 -0.303 5.859 1.00 0.00 C ATOM 0 H LEU A 93 103.329 -1.049 2.572 1.00 0.00 H new ATOM 0 HA LEU A 93 103.894 0.851 4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.640 0.286 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.804 -1.365 4.255 1.00 0.00 H new ATOM 0 HG LEU A 93 101.994 -0.452 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.195 1.857 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.679 1.844 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.102 2.114 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.552 -0.019 6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.462 0.221 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.877 -1.379 5.718 1.00 0.00 H new ATOM 1313 N VAL A 94 104.259 -2.330 5.429 1.00 0.00 N ATOM 1314 CA VAL A 94 104.828 -3.218 6.498 1.00 0.00 C ATOM 1315 C VAL A 94 106.304 -3.515 6.234 1.00 0.00 C ATOM 1316 O VAL A 94 107.106 -3.599 7.146 1.00 0.00 O ATOM 1317 CB VAL A 94 103.995 -4.506 6.432 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.466 -5.492 7.507 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.518 -4.176 6.672 1.00 0.00 C ATOM 0 H VAL A 94 103.929 -2.813 4.593 1.00 0.00 H new ATOM 0 HA VAL A 94 104.781 -2.750 7.481 1.00 0.00 H new ATOM 0 HB VAL A 94 104.120 -4.955 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 94 103.869 -6.402 7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.516 -5.736 7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.349 -5.040 8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 94 101.928 -5.091 6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.402 -3.720 7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.171 -3.481 5.907 1.00 0.00 H new ATOM 1329 N GLY A 95 106.658 -3.687 4.995 1.00 0.00 N ATOM 1330 CA GLY A 95 108.071 -3.995 4.637 1.00 0.00 C ATOM 1331 C GLY A 95 108.114 -5.298 3.838 1.00 0.00 C ATOM 1332 O GLY A 95 108.987 -5.504 3.017 1.00 0.00 O ATOM 0 H GLY A 95 106.020 -3.627 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.496 -3.180 4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.676 -4.087 5.539 1.00 0.00 H new ATOM 1336 N SER A 96 107.168 -6.176 4.066 1.00 0.00 N ATOM 1337 CA SER A 96 107.140 -7.465 3.317 1.00 0.00 C ATOM 1338 C SER A 96 105.719 -8.036 3.304 1.00 0.00 C ATOM 1339 O SER A 96 104.851 -7.570 4.019 1.00 0.00 O ATOM 1340 CB SER A 96 108.084 -8.391 4.082 1.00 0.00 C ATOM 1341 OG SER A 96 107.515 -8.701 5.347 1.00 0.00 O ATOM 0 H SER A 96 106.413 -6.053 4.741 1.00 0.00 H new ATOM 0 HA SER A 96 107.444 -7.345 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.255 -9.305 3.513 1.00 0.00 H new ATOM 0 HB3 SER A 96 109.054 -7.912 4.214 1.00 0.00 H new ATOM 0 HG SER A 96 108.118 -9.296 5.840 1.00 0.00 H new ATOM 1347 N THR A 97 105.478 -9.043 2.501 1.00 0.00 N ATOM 1348 CA THR A 97 104.109 -9.648 2.447 1.00 0.00 C ATOM 1349 C THR A 97 104.026 -10.891 3.346 1.00 0.00 C ATOM 1350 O THR A 97 103.048 -11.615 3.325 1.00 0.00 O ATOM 1351 CB THR A 97 103.876 -10.037 0.981 1.00 0.00 C ATOM 1352 OG1 THR A 97 104.789 -11.064 0.611 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.075 -8.819 0.075 1.00 0.00 C ATOM 0 H THR A 97 106.167 -9.472 1.882 1.00 0.00 H new ATOM 0 HA THR A 97 103.355 -8.946 2.803 1.00 0.00 H new ATOM 0 HB THR A 97 102.854 -10.399 0.866 1.00 0.00 H new ATOM 0 HG1 THR A 97 104.639 -11.314 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 97 103.907 -9.106 -0.963 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.367 -8.038 0.354 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.092 -8.444 0.188 1.00 0.00 H new ATOM 1361 N GLU A 98 105.043 -11.142 4.131 1.00 0.00 N ATOM 1362 CA GLU A 98 105.033 -12.337 5.031 1.00 0.00 C ATOM 1363 C GLU A 98 104.015 -12.147 6.160 1.00 0.00 C ATOM 1364 O GLU A 98 103.457 -13.099 6.671 1.00 0.00 O ATOM 1365 CB GLU A 98 106.450 -12.425 5.598 1.00 0.00 C ATOM 1366 CG GLU A 98 107.418 -12.842 4.486 1.00 0.00 C ATOM 1367 CD GLU A 98 108.871 -12.778 4.986 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.080 -12.420 6.136 1.00 0.00 O ATOM 1369 OE2 GLU A 98 109.754 -13.096 4.206 1.00 0.00 O1- ATOM 0 H GLU A 98 105.884 -10.568 4.188 1.00 0.00 H new ATOM 0 HA GLU A 98 104.750 -13.246 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.748 -11.462 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.483 -13.147 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.186 -13.854 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.295 -12.187 3.624 1.00 0.00 H new ATOM 1376 N ALA A 99 103.780 -10.921 6.556 1.00 0.00 N ATOM 1377 CA ALA A 99 102.807 -10.658 7.664 1.00 0.00 C ATOM 1378 C ALA A 99 101.417 -11.174 7.291 1.00 0.00 C ATOM 1379 O ALA A 99 100.718 -11.731 8.117 1.00 0.00 O ATOM 1380 CB ALA A 99 102.788 -9.136 7.831 1.00 0.00 C ATOM 0 H ALA A 99 104.219 -10.090 6.161 1.00 0.00 H new ATOM 0 HA ALA A 99 103.094 -11.165 8.586 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.095 -8.866 8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.788 -8.785 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.467 -8.672 6.899 1.00 0.00 H new ATOM 1386 N GLY A 100 101.013 -10.996 6.060 1.00 0.00 N ATOM 1387 CA GLY A 100 99.666 -11.479 5.635 1.00 0.00 C ATOM 1388 C GLY A 100 98.597 -10.494 6.107 1.00 0.00 C ATOM 1389 O GLY A 100 98.169 -9.629 5.366 1.00 0.00 O ATOM 0 H GLY A 100 101.558 -10.537 5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.630 -11.579 4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.474 -12.467 6.053 1.00 0.00 H new ATOM 1393 N ARG A 101 98.165 -10.620 7.338 1.00 0.00 N ATOM 1394 CA ARG A 101 97.123 -9.692 7.865 1.00 0.00 C ATOM 1395 C ARG A 101 97.564 -9.115 9.210 1.00 0.00 C ATOM 1396 O ARG A 101 98.014 -9.835 10.083 1.00 0.00 O ATOM 1397 CB ARG A 101 95.874 -10.547 8.040 1.00 0.00 C ATOM 1398 CG ARG A 101 94.657 -9.640 8.216 1.00 0.00 C ATOM 1399 CD ARG A 101 93.444 -10.493 8.579 1.00 0.00 C ATOM 1400 NE ARG A 101 92.262 -9.640 8.275 1.00 0.00 N ATOM 1401 CZ ARG A 101 91.108 -10.193 8.027 1.00 0.00 C ATOM 1402 NH1 ARG A 101 90.848 -10.655 6.834 1.00 0.00 N ATOM 1403 NH2 ARG A 101 90.213 -10.289 8.973 1.00 0.00 N1+ ATOM 0 H ARG A 101 98.490 -11.326 7.999 1.00 0.00 H new ATOM 0 HA ARG A 101 96.948 -8.850 7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.738 -11.192 7.172 1.00 0.00 H new ATOM 0 HB3 ARG A 101 95.984 -11.198 8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 101 94.847 -8.905 8.998 1.00 0.00 H new ATOM 0 HG3 ARG A 101 94.465 -9.086 7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 101 93.424 -11.416 7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 101 93.464 -10.778 9.631 1.00 0.00 H new ATOM 0 HE ARG A 101 92.355 -8.624 8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 101 91.548 -10.583 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 101 89.945 -11.088 6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 101 90.417 -9.931 9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 101 89.310 -10.722 8.779 1.00 0.00 H new ATOM 1417 N VAL A 102 97.438 -7.823 9.386 1.00 0.00 N ATOM 1418 CA VAL A 102 97.852 -7.202 10.681 1.00 0.00 C ATOM 1419 C VAL A 102 96.657 -6.516 11.347 1.00 0.00 C ATOM 1420 O VAL A 102 96.045 -5.630 10.790 1.00 0.00 O ATOM 1421 CB VAL A 102 98.933 -6.180 10.303 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.439 -5.472 11.563 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.102 -6.902 9.624 1.00 0.00 C ATOM 0 H VAL A 102 97.068 -7.174 8.692 1.00 0.00 H new ATOM 0 HA VAL A 102 98.224 -7.937 11.394 1.00 0.00 H new ATOM 0 HB VAL A 102 98.509 -5.444 9.620 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.206 -4.747 11.290 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.610 -4.957 12.049 1.00 0.00 H new ATOM 0 HG13 VAL A 102 99.861 -6.207 12.248 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.870 -6.177 9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.522 -7.639 10.309 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.746 -7.404 8.724 1.00 0.00 H new ATOM 1433 N ASP A 103 96.319 -6.949 12.531 1.00 0.00 N ATOM 1434 CA ASP A 103 95.154 -6.362 13.259 1.00 0.00 C ATOM 1435 C ASP A 103 95.542 -5.078 13.999 1.00 0.00 C ATOM 1436 O ASP A 103 96.694 -4.695 14.053 1.00 0.00 O ATOM 1437 CB ASP A 103 94.728 -7.452 14.251 1.00 0.00 C ATOM 1438 CG ASP A 103 95.864 -7.769 15.237 1.00 0.00 C ATOM 1439 OD1 ASP A 103 96.987 -7.358 14.986 1.00 0.00 O1- ATOM 1440 OD2 ASP A 103 95.587 -8.419 16.231 1.00 0.00 O ATOM 0 H ASP A 103 96.805 -7.693 13.032 1.00 0.00 H new ATOM 0 HA ASP A 103 94.352 -6.080 12.577 1.00 0.00 H new ATOM 0 HB2 ASP A 103 93.845 -7.125 14.800 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.449 -8.355 13.708 1.00 0.00 H new ATOM 1445 N ASN A 104 94.569 -4.422 14.586 1.00 0.00 N ATOM 1446 CA ASN A 104 94.829 -3.161 15.358 1.00 0.00 C ATOM 1447 C ASN A 104 95.451 -2.067 14.480 1.00 0.00 C ATOM 1448 O ASN A 104 96.340 -1.353 14.904 1.00 0.00 O ATOM 1449 CB ASN A 104 95.793 -3.553 16.485 1.00 0.00 C ATOM 1450 CG ASN A 104 95.815 -2.449 17.544 1.00 0.00 C ATOM 1451 OD1 ASN A 104 94.779 -1.974 17.965 1.00 0.00 O ATOM 1452 ND2 ASN A 104 96.961 -2.019 17.996 1.00 0.00 N ATOM 0 H ASN A 104 93.591 -4.710 14.563 1.00 0.00 H new ATOM 0 HA ASN A 104 93.896 -2.746 15.739 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.481 -4.496 16.934 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.795 -3.707 16.084 1.00 0.00 H new ATOM 0 HD21 ASN A 104 96.987 -1.284 18.703 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.831 -2.418 17.643 1.00 0.00 H new ATOM 1459 N VAL A 105 94.983 -1.932 13.267 1.00 0.00 N ATOM 1460 CA VAL A 105 95.541 -0.874 12.366 1.00 0.00 C ATOM 1461 C VAL A 105 94.769 0.432 12.555 1.00 0.00 C ATOM 1462 O VAL A 105 93.556 0.453 12.473 1.00 0.00 O ATOM 1463 CB VAL A 105 95.365 -1.398 10.943 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.920 -0.375 9.943 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.109 -2.728 10.790 1.00 0.00 C ATOM 0 H VAL A 105 94.243 -2.504 12.861 1.00 0.00 H new ATOM 0 HA VAL A 105 96.589 -0.668 12.584 1.00 0.00 H new ATOM 0 HB VAL A 105 94.305 -1.554 10.744 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.793 -0.752 8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.382 0.567 10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 105 96.980 -0.212 10.139 1.00 0.00 H new ATOM 0 HG21 VAL A 105 95.982 -3.101 9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.169 -2.577 10.992 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.705 -3.454 11.496 1.00 0.00 H new ATOM 1475 N ASN A 106 95.457 1.518 12.811 1.00 0.00 N ATOM 1476 CA ASN A 106 94.737 2.811 13.004 1.00 0.00 C ATOM 1477 C ASN A 106 94.482 3.471 11.649 1.00 0.00 C ATOM 1478 O ASN A 106 95.321 3.472 10.770 1.00 0.00 O ATOM 1479 CB ASN A 106 95.632 3.673 13.893 1.00 0.00 C ATOM 1480 CG ASN A 106 94.895 4.961 14.270 1.00 0.00 C ATOM 1481 OD1 ASN A 106 93.682 5.024 14.212 1.00 0.00 O ATOM 1482 ND2 ASN A 106 95.583 6.002 14.655 1.00 0.00 N ATOM 0 H ASN A 106 96.473 1.564 12.893 1.00 0.00 H new ATOM 0 HA ASN A 106 93.763 2.671 13.473 1.00 0.00 H new ATOM 0 HB2 ASN A 106 95.906 3.122 14.793 1.00 0.00 H new ATOM 0 HB3 ASN A 106 96.558 3.912 13.371 1.00 0.00 H new ATOM 0 HD21 ASN A 106 95.103 6.866 14.906 1.00 0.00 H new ATOM 0 HD22 ASN A 106 96.601 5.951 14.704 1.00 0.00 H new ATOM 1489 N TYR A 107 93.309 4.017 11.485 1.00 0.00 N ATOM 1490 CA TYR A 107 92.944 4.676 10.195 1.00 0.00 C ATOM 1491 C TYR A 107 92.269 6.027 10.448 1.00 0.00 C ATOM 1492 O TYR A 107 91.471 6.176 11.354 1.00 0.00 O ATOM 1493 CB TYR A 107 91.961 3.706 9.521 1.00 0.00 C ATOM 1494 CG TYR A 107 90.791 3.421 10.439 1.00 0.00 C ATOM 1495 CD1 TYR A 107 90.894 2.413 11.406 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.607 4.159 10.323 1.00 0.00 C ATOM 1497 CE1 TYR A 107 89.815 2.144 12.255 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.527 3.889 11.173 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.632 2.882 12.140 1.00 0.00 C ATOM 1500 OH TYR A 107 87.569 2.616 12.979 1.00 0.00 O ATOM 0 H TYR A 107 92.578 4.036 12.197 1.00 0.00 H new ATOM 0 HA TYR A 107 93.820 4.875 9.577 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.602 4.134 8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.471 2.776 9.271 1.00 0.00 H new ATOM 0 HD1 TYR A 107 91.807 1.843 11.496 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.526 4.937 9.578 1.00 0.00 H new ATOM 0 HE1 TYR A 107 89.895 1.366 13.000 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.613 4.458 11.082 1.00 0.00 H new ATOM 0 HH TYR A 107 86.826 3.219 12.767 1.00 0.00 H new ATOM 1510 N VAL A 108 92.585 7.009 9.642 1.00 0.00 N ATOM 1511 CA VAL A 108 91.970 8.361 9.813 1.00 0.00 C ATOM 1512 C VAL A 108 91.703 8.990 8.442 1.00 0.00 C ATOM 1513 O VAL A 108 92.445 8.785 7.501 1.00 0.00 O ATOM 1514 CB VAL A 108 92.993 9.185 10.602 1.00 0.00 C ATOM 1515 CG1 VAL A 108 93.188 8.560 11.985 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.333 9.207 9.859 1.00 0.00 C ATOM 0 H VAL A 108 93.246 6.932 8.869 1.00 0.00 H new ATOM 0 HA VAL A 108 91.014 8.314 10.335 1.00 0.00 H new ATOM 0 HB VAL A 108 92.627 10.206 10.707 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.915 9.144 12.549 1.00 0.00 H new ATOM 0 HG12 VAL A 108 92.237 8.552 12.518 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.550 7.538 11.875 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.054 9.795 10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.703 8.188 9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.196 9.654 8.874 1.00 0.00 H new ATOM 1526 N GLN A 109 90.637 9.740 8.322 1.00 0.00 N ATOM 1527 CA GLN A 109 90.298 10.375 7.012 1.00 0.00 C ATOM 1528 C GLN A 109 91.041 11.701 6.841 1.00 0.00 C ATOM 1529 O GLN A 109 91.195 12.463 7.776 1.00 0.00 O ATOM 1530 CB GLN A 109 88.793 10.625 7.079 1.00 0.00 C ATOM 1531 CG GLN A 109 88.270 11.012 5.695 1.00 0.00 C ATOM 1532 CD GLN A 109 86.735 11.019 5.701 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.112 10.739 6.708 1.00 0.00 O ATOM 1534 NE2 GLN A 109 86.095 11.324 4.605 1.00 0.00 N ATOM 0 H GLN A 109 89.984 9.941 9.079 1.00 0.00 H new ATOM 0 HA GLN A 109 90.582 9.744 6.170 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.282 9.730 7.434 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.578 11.419 7.794 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.646 11.997 5.417 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.636 10.308 4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.615 11.559 3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 109 85.075 11.327 4.594 1.00 0.00 H new ATOM 1543 N VAL A 110 91.491 11.981 5.643 1.00 0.00 N ATOM 1544 CA VAL A 110 92.215 13.260 5.392 1.00 0.00 C ATOM 1545 C VAL A 110 91.725 13.895 4.084 1.00 0.00 C ATOM 1546 O VAL A 110 90.905 13.333 3.384 1.00 0.00 O ATOM 1547 CB VAL A 110 93.698 12.891 5.296 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.170 12.310 6.630 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.909 11.857 4.184 1.00 0.00 C ATOM 0 H VAL A 110 91.387 11.376 4.828 1.00 0.00 H new ATOM 0 HA VAL A 110 92.041 13.987 6.185 1.00 0.00 H new ATOM 0 HB VAL A 110 94.274 13.787 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.226 12.048 6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.032 13.050 7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.590 11.418 6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.966 11.600 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.330 10.961 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.581 12.274 3.232 1.00 0.00 H new ATOM 1559 N ASP A 111 92.223 15.060 3.752 1.00 0.00 N ATOM 1560 CA ASP A 111 91.787 15.735 2.487 1.00 0.00 C ATOM 1561 C ASP A 111 92.154 14.882 1.267 1.00 0.00 C ATOM 1562 O ASP A 111 93.131 14.160 1.272 1.00 0.00 O ATOM 1563 CB ASP A 111 92.546 17.065 2.458 1.00 0.00 C ATOM 1564 CG ASP A 111 92.005 18.002 3.545 1.00 0.00 C ATOM 1565 OD1 ASP A 111 90.863 17.831 3.943 1.00 0.00 O1- ATOM 1566 OD2 ASP A 111 92.743 18.881 3.958 1.00 0.00 O ATOM 0 H ASP A 111 92.912 15.574 4.301 1.00 0.00 H new ATOM 0 HA ASP A 111 90.707 15.881 2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 111 93.610 16.889 2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.441 17.532 1.479 1.00 0.00 H new ATOM 1571 N LEU A 112 91.372 14.969 0.218 1.00 0.00 N ATOM 1572 CA LEU A 112 91.656 14.174 -1.021 1.00 0.00 C ATOM 1573 C LEU A 112 93.027 14.532 -1.600 1.00 0.00 C ATOM 1574 O LEU A 112 93.746 13.677 -2.081 1.00 0.00 O ATOM 1575 CB LEU A 112 90.554 14.570 -2.007 1.00 0.00 C ATOM 1576 CG LEU A 112 90.740 13.812 -3.329 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.379 13.445 -3.919 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.493 14.703 -4.319 1.00 0.00 C ATOM 0 H LEU A 112 90.543 15.561 0.166 1.00 0.00 H new ATOM 0 HA LEU A 112 91.670 13.104 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.576 14.344 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.583 15.645 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 112 91.307 12.900 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.522 12.908 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.837 12.812 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 112 88.806 14.353 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.628 14.169 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 112 90.921 15.613 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.468 14.962 -3.906 1.00 0.00 H new ATOM 1590 N SER A 113 93.381 15.792 -1.585 1.00 0.00 N ATOM 1591 CA SER A 113 94.698 16.219 -2.163 1.00 0.00 C ATOM 1592 C SER A 113 95.843 15.377 -1.590 1.00 0.00 C ATOM 1593 O SER A 113 96.767 15.021 -2.290 1.00 0.00 O ATOM 1594 CB SER A 113 94.856 17.684 -1.753 1.00 0.00 C ATOM 1595 OG SER A 113 95.971 18.245 -2.435 1.00 0.00 O ATOM 0 H SER A 113 92.816 16.547 -1.197 1.00 0.00 H new ATOM 0 HA SER A 113 94.727 16.089 -3.245 1.00 0.00 H new ATOM 0 HB2 SER A 113 93.950 18.241 -1.993 1.00 0.00 H new ATOM 0 HB3 SER A 113 94.999 17.759 -0.675 1.00 0.00 H new ATOM 0 HG SER A 113 96.272 17.627 -3.133 1.00 0.00 H new ATOM 1601 N ASN A 114 95.786 15.063 -0.325 1.00 0.00 N ATOM 1602 CA ASN A 114 96.869 14.244 0.310 1.00 0.00 C ATOM 1603 C ASN A 114 96.983 12.865 -0.350 1.00 0.00 C ATOM 1604 O ASN A 114 98.071 12.371 -0.566 1.00 0.00 O ATOM 1605 CB ASN A 114 96.469 14.110 1.781 1.00 0.00 C ATOM 1606 CG ASN A 114 96.618 15.467 2.476 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.339 16.328 2.010 1.00 0.00 O ATOM 1608 ND2 ASN A 114 95.963 15.696 3.581 1.00 0.00 N ATOM 0 H ASN A 114 95.032 15.339 0.304 1.00 0.00 H new ATOM 0 HA ASN A 114 97.844 14.717 0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.439 13.761 1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.096 13.366 2.273 1.00 0.00 H new ATOM 0 HD21 ASN A 114 96.056 16.596 4.052 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.358 14.975 3.974 1.00 0.00 H new ATOM 1615 N CYS A 115 95.879 12.248 -0.680 1.00 0.00 N ATOM 1616 CA CYS A 115 95.939 10.905 -1.343 1.00 0.00 C ATOM 1617 C CYS A 115 96.669 11.012 -2.682 1.00 0.00 C ATOM 1618 O CYS A 115 97.545 10.224 -2.986 1.00 0.00 O ATOM 1619 CB CYS A 115 94.481 10.494 -1.576 1.00 0.00 C ATOM 1620 SG CYS A 115 93.945 9.370 -0.262 1.00 0.00 S ATOM 0 H CYS A 115 94.939 12.612 -0.521 1.00 0.00 H new ATOM 0 HA CYS A 115 96.475 10.178 -0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 115 93.843 11.377 -1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.381 10.008 -2.547 1.00 0.00 H new ATOM 1625 N ILE A 116 96.304 11.974 -3.485 1.00 0.00 N ATOM 1626 CA ILE A 116 96.962 12.133 -4.818 1.00 0.00 C ATOM 1627 C ILE A 116 98.423 12.562 -4.649 1.00 0.00 C ATOM 1628 O ILE A 116 99.295 12.101 -5.363 1.00 0.00 O ATOM 1629 CB ILE A 116 96.145 13.213 -5.539 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.708 12.725 -5.718 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.747 13.507 -6.914 1.00 0.00 C ATOM 1632 CD1 ILE A 116 93.845 13.870 -6.251 1.00 0.00 C ATOM 0 H ILE A 116 95.577 12.659 -3.277 1.00 0.00 H new ATOM 0 HA ILE A 116 96.982 11.201 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 116 96.161 14.124 -4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.682 11.883 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.312 12.369 -4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.156 14.275 -7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.772 13.858 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.742 12.598 -7.515 1.00 0.00 H new ATOM 0 HD11 ILE A 116 92.820 13.523 -6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 116 93.862 14.699 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.238 14.205 -7.211 1.00 0.00 H new ATOM 1644 N ASN A 117 98.696 13.438 -3.717 1.00 0.00 N ATOM 1645 CA ASN A 117 100.105 13.898 -3.508 1.00 0.00 C ATOM 1646 C ASN A 117 100.982 12.741 -3.018 1.00 0.00 C ATOM 1647 O ASN A 117 102.120 12.600 -3.422 1.00 0.00 O ATOM 1648 CB ASN A 117 100.017 14.992 -2.445 1.00 0.00 C ATOM 1649 CG ASN A 117 99.340 16.227 -3.042 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.438 16.474 -4.227 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.653 17.018 -2.265 1.00 0.00 N ATOM 0 H ASN A 117 98.007 13.855 -3.092 1.00 0.00 H new ATOM 0 HA ASN A 117 100.555 14.263 -4.431 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.452 14.634 -1.585 1.00 0.00 H new ATOM 0 HB3 ASN A 117 101.014 15.248 -2.087 1.00 0.00 H new ATOM 0 HD21 ASN A 117 98.198 17.844 -2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.571 16.810 -1.270 1.00 0.00 H new ATOM 1658 N GLY A 118 100.458 11.921 -2.145 1.00 0.00 N ATOM 1659 CA GLY A 118 101.250 10.774 -1.610 1.00 0.00 C ATOM 1660 C GLY A 118 101.461 9.725 -2.702 1.00 0.00 C ATOM 1661 O GLY A 118 102.565 9.263 -2.924 1.00 0.00 O ATOM 0 H GLY A 118 99.510 11.997 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.214 11.127 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.731 10.328 -0.762 1.00 0.00 H new ATOM 1665 N ALA A 119 100.409 9.339 -3.376 1.00 0.00 N ATOM 1666 CA ALA A 119 100.539 8.305 -4.452 1.00 0.00 C ATOM 1667 C ALA A 119 101.497 8.784 -5.547 1.00 0.00 C ATOM 1668 O ALA A 119 102.294 8.020 -6.058 1.00 0.00 O ATOM 1669 CB ALA A 119 99.127 8.130 -5.016 1.00 0.00 C ATOM 0 H ALA A 119 99.464 9.694 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 119 100.943 7.369 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.143 7.385 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.457 7.799 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.774 9.081 -5.416 1.00 0.00 H new ATOM 1675 N ASN A 120 101.423 10.039 -5.910 1.00 0.00 N ATOM 1676 CA ASN A 120 102.329 10.568 -6.972 1.00 0.00 C ATOM 1677 C ASN A 120 103.586 11.175 -6.343 1.00 0.00 C ATOM 1678 O ASN A 120 104.670 10.751 -6.709 1.00 0.00 O ATOM 1679 CB ASN A 120 101.516 11.645 -7.694 1.00 0.00 C ATOM 1680 CG ASN A 120 100.279 11.012 -8.334 1.00 0.00 C ATOM 1681 OD1 ASN A 120 99.165 11.381 -8.024 1.00 0.00 O ATOM 1682 ND2 ASN A 120 100.430 10.067 -9.222 1.00 0.00 N ATOM 1683 OXT ASN A 120 103.443 12.050 -5.506 1.00 0.00 O ATOM 0 H ASN A 120 100.774 10.720 -5.516 1.00 0.00 H new ATOM 0 HA ASN A 120 102.662 9.786 -7.654 1.00 0.00 H new ATOM 0 HB2 ASN A 120 101.217 12.422 -6.990 1.00 0.00 H new ATOM 0 HB3 ASN A 120 102.127 12.125 -8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 120 99.612 9.639 -9.655 1.00 0.00 H new ATOM 0 HD22 ASN A 120 101.366 9.757 -9.483 1.00 0.00 H new